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 174.2
[M+Na]+ 393.01632 180.2
[M-H]- 369.01982 178.6
[M+NH4]+ 388.06092 184.2
[M+K]+ 408.99026 172.5
[M+H-H2O]+ 353.02436 169.8
[M+HCOO]- 415.02530 191.3
[M+CH3COO]- 429.04095 205.9
[M+Na-2H]- 391.00177 179.4
[M]+ 370.02655 174.9
[M]- 370.02765 174.9
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.