CID 362702

Nsc626941

Structural Information

Molecular Formula
C15H13FN2O5S
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)F
InChI
InChI=1S/C15H13FN2O5S/c16-11-3-1-10(2-4-11)15(21)18-12-5-7-13(8-6-12)24(22,23)17-9-14(19)20/h1-8,17H,9H2,(H,18,21)(H,19,20)
InChIKey
DYVNEIJURRERNJ-UHFFFAOYSA-N
Compound name
2-[[4-[(4-fluorobenzoyl)amino]phenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

352.05292 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.06020 174.9
[M+Na]+ 375.04214 180.6
[M-H]- 351.04564 178.8
[M+NH4]+ 370.08674 186.2
[M+K]+ 391.01608 176.3
[M+H-H2O]+ 335.05018 166.0
[M+HCOO]- 397.05112 191.2
[M+CH3COO]- 411.06677 210.5
[M+Na-2H]- 373.02759 177.6
[M]+ 352.05237 175.3
[M]- 352.05347 175.3
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

patents stripe