CID 47002814

4-fluoro-3-methanesulfonamidobenzoic acid

Structural Information

Molecular Formula
C8H8FNO4S
SMILES
CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)F
InChI
InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-4-5(8(11)12)2-3-6(7)9/h2-4,10H,1H3,(H,11,12)
InChIKey
CPRDLCOJNODCAS-UHFFFAOYSA-N
Compound name
4-fluoro-3-(methanesulfonamido)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.01581 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.02309 143.3
[M+Na]+ 256.00503 152.0
[M-H]- 232.00853 145.0
[M+NH4]+ 251.04963 160.6
[M+K]+ 271.97897 148.9
[M+H-H2O]+ 216.01307 136.9
[M+HCOO]- 278.01401 160.0
[M+CH3COO]- 292.02966 186.5
[M+Na-2H]- 253.99048 146.7
[M]+ 233.01526 144.4
[M]- 233.01636 144.4
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.