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]+ 234.023086 143.3
[M+Na]+ 256.005028 152.7
[M-H]- 232.008534 144.7
[M+NH4]+ 251.049633 160.5
[M+K]+ 271.978968 149.4
[M+H-H2O]+ 216.013070 137.1
[M+HCOO]- 278.014011 159.2
[M+CH3COO]- 292.029661 187.2
[M+Na-2H]- 253.990476 144.9
[M]+ 233.01526142 143.7
[M]- 233.01635858 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.