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
1
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 191.8
[M+Na]+ 443.97342 190.9
[M+NH4]+ 439.01802 190.1
[M+K]+ 459.94736 189.3
[M-H]- 419.97692 184.7
[M+Na-2H]- 441.95887 188.2
[M]+ 420.98365 189.4
[M]- 420.98475 189.4
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.