3-(perfluoroheptanesulfonamido)-n,n,n-trimethylpropan-1-aminium (C13H16F15N2O2S)

Structural Information

Molecular Formula

SMILES

C[N+](C)(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/C13H16F15N2O2S/c1-30(2,3)6-4-5-29-33(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26/h29H,4-6H2,1-3H3/q+1

InChIKey

QHNLSCKDDZDPTI-UHFFFAOYSA-N

Compound name

trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium

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]+	550.076576	200.8
[M+Na]+	572.058518	205.9
[M-H]-	548.062024	210.5
[M+NH4]+	567.103123	210.2
[M+K]+	588.032458	212.4
[M+H-H2O]+	532.066560	183.8
[M+HCOO]-	594.067501	222.1
[M+CH3COO]-	608.083151	242.6
[M+Na-2H]-	570.043966	196.4
[M]+	549.06875142	199.3
[M]-	549.06984858	199.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

550.076576

200.8

[M+Na]+

572.058518

205.9

[M-H]-

548.062024

210.5

[M+NH4]+

567.103123

210.2

[M+K]+

588.032458

212.4

[M+H-H2O]+

532.066560

183.8

[M+HCOO]-

594.067501

222.1

[M+CH3COO]-

608.083151

242.6

[M+Na-2H]-

570.043966

196.4

[M]+

549.06875142

199.3

[M]-

549.06984858

199.3

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

3-(perfluoroheptanesulfonamido)-n,n,n-trimethylpropan-1-aminium

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe