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
4
Annotation Hits

3
References

3141
Patents

182.02153 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.028806 132.7
[M+Na]+ 205.010748 140.8
[M-H]- 181.014254 133.1
[M+NH4]+ 200.055353 150.5
[M+K]+ 220.984688 139.1
[M+H-H2O]+ 165.018790 127.8
[M+HCOO]- 227.019731 152.5
[M+CH3COO]- 241.035381 173.6
[M+Na-2H]- 202.996196 136.2
[M]+ 182.02098142 131.9
[M]- 182.02207858 131.9
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