CID 16767793

4-fluoro-3-[(prop-2-en-1-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C10H10FNO4S
SMILES
C=CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F
InChI
InChI=1S/C10H10FNO4S/c1-2-5-12-17(15,16)9-6-7(10(13)14)3-4-8(9)11/h2-4,6,12H,1,5H2,(H,13,14)
InChIKey
HKJXODOYNLXZLB-UHFFFAOYSA-N
Compound name
4-fluoro-3-(prop-2-enylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.03146 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.03874 151.3
[M+Na]+ 282.02068 159.4
[M-H]- 258.02418 152.6
[M+NH4]+ 277.06528 167.4
[M+K]+ 297.99462 155.2
[M+H-H2O]+ 242.02872 144.5
[M+HCOO]- 304.02966 167.5
[M+CH3COO]- 318.04531 191.6
[M+Na-2H]- 280.00613 153.7
[M]+ 259.03091 152.4
[M]- 259.03201 152.4
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.