CID 258723

4-formylbenzene-1,2-dicarboxylic acid

Structural Information

Molecular Formula
C9H6O5
SMILES
C1=CC(=C(C=C1C=O)C(=O)O)C(=O)O
InChI
InChI=1S/C9H6O5/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKey
PNODFDYINILVKZ-UHFFFAOYSA-N
Compound name
4-formylphthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

194.02153 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02881 135.0
[M+Na]+ 217.01075 143.4
[M-H]- 193.01425 136.6
[M+NH4]+ 212.05535 152.9
[M+K]+ 232.98469 141.7
[M+H-H2O]+ 177.01879 129.8
[M+HCOO]- 239.01973 156.2
[M+CH3COO]- 253.03538 178.1
[M+Na-2H]- 214.99620 138.5
[M]+ 194.02098 135.8
[M]- 194.02208 135.8
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