CID 88439

20262-55-9

Structural Information

Molecular Formula
C9H5NO4
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)NC2=O
InChI
InChI=1S/C9H5NO4/c11-7-5-2-1-4(9(13)14)3-6(5)8(12)10-7/h1-3H,(H,13,14)(H,10,11,12)
InChIKey
ARRQNZZBVOIEQQ-UHFFFAOYSA-N
Compound name
1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

546
Patents

191.02185 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02913 135.2
[M+Na]+ 214.01107 145.1
[M-H]- 190.01457 136.6
[M+NH4]+ 209.05567 155.1
[M+K]+ 229.98501 141.8
[M+H-H2O]+ 174.01911 130.2
[M+HCOO]- 236.02005 155.0
[M+CH3COO]- 250.03570 176.8
[M+Na-2H]- 211.99652 139.2
[M]+ 191.02130 134.3
[M]- 191.02240 134.3
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