CID 139596595

Pfsmbta n=3

Structural Information

Molecular Formula
C10H16F7N2O4S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C10H15F7N2O4S/c1-19(2,6-7(20)21)5-3-4-18-24(22,23)10(16,17)8(11,12)9(13,14)15/h18H,3-6H2,1-2H3/p+1
InChIKey
PJKLKBPCLORBPF-UHFFFAOYSA-O
Compound name
carboxymethyl-[3-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

393.0719 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.07918 165.9
[M+Na]+ 416.06112 185.0
[M-H]- 392.06462 183.9
[M+NH4]+ 411.10572 183.6
[M+K]+ 432.03506 163.4
[M+H-H2O]+ 376.06916 157.9
[M+HCOO]- 438.07010 197.6
[M+CH3COO]- 452.08575 212.3
[M+Na-2H]- 414.04657 173.6
[M]+ 393.07135 176.4
[M]- 393.07245 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.