CID 16768054

4-fluoro-3-(methylsulfamoyl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 152.0
[M-H]- 232.008534 145.0
[M+NH4]+ 251.049633 160.6
[M+K]+ 271.978968 148.9
[M+H-H2O]+ 216.013070 136.9
[M+HCOO]- 278.014011 160.0
[M+CH3COO]- 292.029661 186.5
[M+Na-2H]- 253.990476 146.7
[M]+ 233.01526142 144.4
[M]- 233.01635858 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

patents stripe