CID 1010683

383-43-7

Structural Information

Molecular Formula
C16H15FN2O5S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)F
InChI
InChI=1S/C16H15FN2O5S/c17-11-1-3-13(4-2-11)19-25(23,24)14-7-5-12(6-8-14)18-15(20)9-10-16(21)22/h1-8,19H,9-10H2,(H,18,20)(H,21,22)
InChIKey
UYXFMZOYTZMHFC-UHFFFAOYSA-N
Compound name
4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

366.06857 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07585 179.2
[M+Na]+ 389.05779 184.5
[M-H]- 365.06129 182.9
[M+NH4]+ 384.10239 189.9
[M+K]+ 405.03173 180.0
[M+H-H2O]+ 349.06583 170.2
[M+HCOO]- 411.06677 195.1
[M+CH3COO]- 425.08242 213.4
[M+Na-2H]- 387.04324 181.5
[M]+ 366.06802 179.9
[M]- 366.06912 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.