CID 139596548

N-methyl (perfluoropentyl)sulfonamidoacetic acid

Structural Information

Molecular Formula
C8H6F11NO4S
SMILES
CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H6F11NO4S/c1-20(2-3(21)22)25(23,24)8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2H2,1H3,(H,21,22)
InChIKey
PCJKVWPGABCQGW-UHFFFAOYSA-N
Compound name
2-[methyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

420.9842 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.99148 169.7
[M+Na]+ 443.97342 167.8
[M-H]- 419.97692 168.2
[M+NH4]+ 439.01802 170.8
[M+K]+ 459.94736 174.9
[M+H-H2O]+ 403.98146 156.9
[M+HCOO]- 465.98240 177.5
[M+CH3COO]- 479.99805 221.7
[M+Na-2H]- 441.95887 172.7
[M]+ 420.98365 161.0
[M]- 420.98475 161.0
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.