CID 10784527

Fbsaa

Structural Information

Molecular Formula
C6H4F9NO4S
SMILES
C(C(=O)O)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H4F9NO4S/c7-3(8,5(11,12)13)4(9,10)6(14,15)21(19,20)16-1-2(17)18/h16H,1H2,(H,17,18)
InChIKey
IIJKOWPVAXZAKE-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

356.97174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.97902 157.8
[M+Na]+ 379.96096 165.1
[M-H]- 355.96446 145.7
[M+NH4]+ 375.00556 168.8
[M+K]+ 395.93490 162.3
[M+H-H2O]+ 339.96900 146.4
[M+HCOO]- 401.96994 159.2
[M+CH3COO]- 415.98559 206.8
[M+Na-2H]- 377.94641 161.5
[M]+ 356.97119 146.2
[M]- 356.97229 146.2
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

patents stripe