CID 10710

2-(carboxycarbonyl)benzoic acid

Structural Information

Molecular Formula
C9H6O5
SMILES
C1=CC=C(C(=C1)C(=O)C(=O)O)C(=O)O
InChI
InChI=1S/C9H6O5/c10-7(9(13)14)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,11,12)(H,13,14)
InChIKey
LFLOMAIEONDOLV-UHFFFAOYSA-N
Compound name
2-oxalobenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

707
Patents

194.02153 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02881 138.0
[M+Na]+ 217.01075 147.9
[M+NH4]+ 212.05535 143.3
[M+K]+ 232.98469 145.5
[M-H]- 193.01425 136.4
[M+Na-2H]- 214.99620 141.5
[M]+ 194.02098 138.4
[M]- 194.02208 138.4
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