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 174.1
[M+Na]+ 368.03634 186.3
[M+NH4]+ 363.08094 180.6
[M+K]+ 384.01028 178.7
[M-H]- 344.03984 176.1
[M+Na-2H]- 366.02179 181.2
[M]+ 345.04657 176.8
[M]- 345.04767 176.8
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.