CID 11118373

3-(dimethylsulfamoyl)-4-fluorobenzoic acid

Structural Information

Molecular Formula
C9H10FNO4S
SMILES
CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F
InChI
InChI=1S/C9H10FNO4S/c1-11(2)16(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5H,1-2H3,(H,12,13)
InChIKey
SFRDRLYPUDGRAQ-UHFFFAOYSA-N
Compound name
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

247.03146 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03874 147.0
[M+Na]+ 270.02068 155.4
[M-H]- 246.02418 150.1
[M+NH4]+ 265.06528 164.4
[M+K]+ 285.99462 153.6
[M+H-H2O]+ 230.02872 140.3
[M+HCOO]- 292.02966 163.9
[M+CH3COO]- 306.04531 192.8
[M+Na-2H]- 268.00613 149.3
[M]+ 247.03091 149.8
[M]- 247.03201 149.8
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