PubChemLite - 1-heptanesulfonamide, n-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro- (C12H13F15N2O2S)

Structural Information

Molecular Formula

SMILES

CN(C)CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C12H13F15N2O2S/c1-29(2)5-3-4-28-32(30,31)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25/h28H,3-5H2,1-2H3

InChIKey

RFJQYRXZGNILIY-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	535.05312	181.6
[M+Na]+	557.03506	188.7
[M-H]-	533.03856	190.6
[M+NH4]+	552.07966	192.0
[M+K]+	573.00900	195.7
[M+H-H2O]+	517.04310	170.5
[M+HCOO]-	579.04404	198.4
[M+CH3COO]-	593.05969	246.8
[M+Na-2H]-	555.02051	179.3
[M]+	534.04529	180.2
[M]-	534.04639	180.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.05312

181.6

[M+Na]+

557.03506

188.7

[M-H]-

533.03856

190.6

[M+NH4]+

552.07966

192.0

[M+K]+

573.00900

195.7

[M+H-H2O]+

517.04310

170.5

[M+HCOO]-

579.04404

198.4

[M+CH3COO]-

593.05969

246.8

[M+Na-2H]-

555.02051

179.3

[M]+

534.04529

180.2

[M]-

534.04639

180.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-heptanesulfonamide, n-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe