PubChemLite - Perfluoroheptane sulfonamido amine oxide (C12H13F15N2O3S)

Structural Information

Molecular Formula

SMILES

C[N+](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)[O-]

InChI

InChI=1S/C12H13F15N2O3S/c1-29(2,30)5-3-4-28-33(31,32)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

IKTYOVKWKVJAFP-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propan-1-amine oxide

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]+	551.04798	199.1
[M+Na]+	573.02992	202.4
[M-H]-	549.03342	207.7
[M+NH4]+	568.07452	208.1
[M+K]+	589.00386	212.5
[M+H-H2O]+	533.03796	178.3
[M+HCOO]-	595.03890	218.7
[M+CH3COO]-	609.05455	238.8
[M+Na-2H]-	571.01537	194.0
[M]+	550.04015	196.0
[M]-	550.04125	196.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

551.04798

199.1

[M+Na]+

573.02992

202.4

[M-H]-

549.03342

207.7

[M+NH4]+

568.07452

208.1

[M+K]+

589.00386

212.5

[M+H-H2O]+

533.03796

178.3

[M+HCOO]-

595.03890

218.7

[M+CH3COO]-

609.05455

238.8

[M+Na-2H]-

571.01537

194.0

[M]+

550.04015

196.0

[M]-

550.04125

196.0

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

Perfluoroheptane sulfonamido amine oxide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe