CID 510766

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

Structural Information

Molecular Formula
C16H11Cl2NO6S
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C16H11Cl2NO6S/c17-12-5-4-11(7-13(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
AHCSNPRWKRGDJY-UHFFFAOYSA-N
Compound name
4-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.9684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.97568 181.7
[M+Na]+ 437.95762 189.4
[M-H]- 413.96112 187.5
[M+NH4]+ 433.00222 192.6
[M+K]+ 453.93156 183.9
[M+H-H2O]+ 397.96566 176.9
[M+HCOO]- 459.96660 188.2
[M+CH3COO]- 473.98225 217.4
[M+Na-2H]- 435.94307 182.2
[M]+ 414.96785 188.9
[M]- 414.96895 188.9
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.