CID 854420

160878-86-4

Structural Information

Molecular Formula
C15H8ClNO4
SMILES
C1=CC=C(C(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)Cl
InChI
InChI=1S/C15H8ClNO4/c16-11-3-1-2-4-12(11)17-13(18)9-6-5-8(15(20)21)7-10(9)14(17)19/h1-7H,(H,20,21)
InChIKey
YKCAKALCCZMBAN-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

301.0142 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.02148 162.8
[M+Na]+ 324.00342 174.3
[M-H]- 300.00692 169.0
[M+NH4]+ 319.04802 179.8
[M+K]+ 339.97736 168.4
[M+H-H2O]+ 284.01146 156.7
[M+HCOO]- 346.01240 178.9
[M+CH3COO]- 360.02805 199.6
[M+Na-2H]- 321.98887 164.4
[M]+ 301.01365 166.3
[M]- 301.01475 166.3
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

patents stripe