CID 2356966

2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C14H11FN2O7S
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O
InChI
InChI=1S/C14H11FN2O7S/c1-24-13-5-2-8(17(20)21)6-12(13)16-25(22,23)9-3-4-11(15)10(7-9)14(18)19/h2-7,16H,1H3,(H,18,19)
InChIKey
DSCVEQRADREGEE-UHFFFAOYSA-N
Compound name
2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.0271 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.03438 172.2
[M+Na]+ 393.01632 182.2
[M+NH4]+ 388.06092 175.9
[M+K]+ 408.99026 180.4
[M-H]- 369.01982 172.9
[M+Na-2H]- 391.00177 177.0
[M]+ 370.02655 173.7
[M]- 370.02765 173.7
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.