CID 510773

4-[3-[(3-chloro-4-fluoro-phenyl)sulfonylamino]phenyl]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C16H11ClFNO6S
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C16H11ClFNO6S/c17-12-7-11(4-5-13(12)18)26(24,25)19-10-3-1-2-9(6-10)14(20)8-15(21)16(22)23/h1-7,19H,8H2,(H,22,23)
InChIKey
AMWYOZBPOKBUFY-UHFFFAOYSA-N
Compound name
4-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.99796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.00524 180.4
[M+Na]+ 421.98718 187.7
[M-H]- 397.99068 185.0
[M+NH4]+ 417.03178 191.1
[M+K]+ 437.96112 182.7
[M+H-H2O]+ 381.99522 173.3
[M+HCOO]- 443.99616 190.5
[M+CH3COO]- 458.01181 216.0
[M+Na-2H]- 419.97263 180.7
[M]+ 398.99741 185.0
[M]- 398.99851 185.0
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.