CID 11881

4-hydroxyphthalic acid

Structural Information

Molecular Formula
C8H6O5
SMILES
C1=CC(=C(C=C1O)C(=O)O)C(=O)O
InChI
InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey
MWRVRCAFWBBXTL-UHFFFAOYSA-N
Compound name
4-hydroxyphthalic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

2833
Patents

182.02153 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02881 134.7
[M+Na]+ 205.01075 145.0
[M+NH4]+ 200.05535 140.3
[M+K]+ 220.98469 142.7
[M-H]- 181.01425 133.2
[M+Na-2H]- 202.99620 138.2
[M]+ 182.02098 135.3
[M]- 182.02208 135.3
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