CID 124300099

3-fluoro-2-methyl-5-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C8H8FNO4S
SMILES
CC1=C(C=C(C=C1F)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C8H8FNO4S/c1-4-6(8(11)12)2-5(3-7(4)9)15(10,13)14/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChIKey
KANKEABGHGDWSF-UHFFFAOYSA-N
Compound name
3-fluoro-2-methyl-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.01581 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.02309 143.3
[M+Na]+ 256.00503 152.7
[M-H]- 232.00853 144.7
[M+NH4]+ 251.04963 160.5
[M+K]+ 271.97897 149.4
[M+H-H2O]+ 216.01307 137.1
[M+HCOO]- 278.01401 159.2
[M+CH3COO]- 292.02966 187.2
[M+Na-2H]- 253.99048 144.9
[M]+ 233.01526 143.7
[M]- 233.01636 143.7
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.