CID 258723

1,2-benzenedicarboxylic acid, 4-formyl-

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

53
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 137.8
[M+Na]+ 217.01075 148.5
[M+NH4]+ 212.05535 143.3
[M+K]+ 232.98469 145.5
[M-H]- 193.01425 136.5
[M+Na-2H]- 214.99620 141.5
[M]+ 194.02098 138.5
[M]- 194.02208 138.5
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