CID 757411

3-(4-fluorobenzenesulfonamido)propanoic acid

Structural Information

Molecular Formula
C9H10FNO4S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)NCCC(=O)O
InChI
InChI=1S/C9H10FNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKey
UDQZLIWXZJFLPD-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

17
Patents

247.03146 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03874 148.4
[M+Na]+ 270.02068 155.7
[M-H]- 246.02418 149.4
[M+NH4]+ 265.06528 164.8
[M+K]+ 285.99462 152.4
[M+H-H2O]+ 230.02872 141.5
[M+HCOO]- 292.02966 164.8
[M+CH3COO]- 306.04531 188.2
[M+Na-2H]- 268.00613 151.9
[M]+ 247.03091 149.4
[M]- 247.03201 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe