CID 16771007

3-(4-fluorobenzenesulfonamido)naphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C17H12FNO4S
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H12FNO4S/c18-13-5-7-14(8-6-13)24(22,23)19-16-10-12-4-2-1-3-11(12)9-15(16)17(20)21/h1-10,19H,(H,20,21)
InChIKey
VOAHLYLBMHCXON-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.04712 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05440 173.7
[M+Na]+ 368.03634 182.1
[M-H]- 344.03984 179.0
[M+NH4]+ 363.08094 187.1
[M+K]+ 384.01028 176.5
[M+H-H2O]+ 328.04438 165.4
[M+HCOO]- 390.04532 188.8
[M+CH3COO]- 404.06097 208.6
[M+Na-2H]- 366.02179 178.6
[M]+ 345.04657 175.0
[M]- 345.04767 175.0
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.