CID 21267707

2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid

Structural Information

Molecular Formula
C7H4F11NO4S
SMILES
C(C(=O)O)NS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H4F11NO4S/c8-3(9,4(10,11)6(14,15)16)5(12,13)7(17,18)24(22,23)19-1-2(20)21/h19H,1H2,(H,20,21)
InChIKey
LQFCGTRMRYTKLO-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

406.96854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.97582 167.0
[M+Na]+ 429.95776 174.1
[M-H]- 405.96126 152.9
[M+NH4]+ 425.00236 159.8
[M+K]+ 445.93170 171.1
[M+H-H2O]+ 389.96580 154.3
[M+HCOO]- 451.96674 171.0
[M+CH3COO]- 465.98239 216.0
[M+Na-2H]- 427.94321 170.7
[M]+ 406.96799 152.1
[M]- 406.96909 152.1
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