CID 448008

Sb-409513

Structural Information

Molecular Formula
C17H10Cl2N2O4
SMILES
C1=CC(=CC(=C1)Cl)C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)
InChIKey
ONVZFCHLOZUXRP-UHFFFAOYSA-N
Compound name
2-chloro-5-[[4-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

15
Patents

376.00177 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.009046 181.4
[M+Na]+ 398.990988 191.6
[M-H]- 374.994494 188.0
[M+NH4]+ 394.035593 193.7
[M+K]+ 414.964928 183.9
[M+H-H2O]+ 358.999030 174.8
[M+HCOO]- 420.999971 192.8
[M+CH3COO]- 435.015621 212.3
[M+Na-2H]- 396.976436 180.0
[M]+ 376.00122142 183.7
[M]- 376.00231858 183.7
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

patents stripe