CID 891515

329269-49-0

Structural Information

Molecular Formula
C14H12FNO5S
SMILES
COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F
InChI
InChI=1S/C14H12FNO5S/c1-21-12-5-3-2-4-11(12)16-22(19,20)13-8-9(14(17)18)6-7-10(13)15/h2-8,16H,1H3,(H,17,18)
InChIKey
TYZXWGKLDYCGBM-UHFFFAOYSA-N
Compound name
4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.04202 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.04930 167.9
[M+Na]+ 348.03124 175.9
[M-H]- 324.03474 172.5
[M+NH4]+ 343.07584 181.1
[M+K]+ 364.00518 171.8
[M+H-H2O]+ 308.03928 159.6
[M+HCOO]- 370.04022 184.4
[M+CH3COO]- 384.05587 204.0
[M+Na-2H]- 346.01669 170.7
[M]+ 325.04147 170.5
[M]- 325.04257 170.5
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.