CID 510775

4-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C16H12ClNO6S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C16H12ClNO6S/c17-11-4-6-12(7-5-11)18-25(23,24)13-3-1-2-10(8-13)14(19)9-15(20)16(21)22/h1-8,18H,9H2,(H,21,22)
InChIKey
IDVFFMMFXVPXRL-UHFFFAOYSA-N
Compound name
4-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.0074 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.01468 178.9
[M+Na]+ 403.99662 185.5
[M-H]- 380.00012 184.6
[M+NH4]+ 399.04122 190.2
[M+K]+ 419.97056 180.7
[M+H-H2O]+ 364.00466 172.7
[M+HCOO]- 426.00560 190.1
[M+CH3COO]- 440.02125 212.1
[M+Na-2H]- 401.98207 180.3
[M]+ 381.00685 184.2
[M]- 381.00795 184.2
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.