CID 69129

2,4,5-trihydroxybenzoic acid

Structural Information

Molecular Formula
C7H6O5
SMILES
C1=C(C(=CC(=C1O)O)O)C(=O)O
InChI
InChI=1S/C7H6O5/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,8-10H,(H,11,12)
InChIKey
GPDXFYPVHRESMA-UHFFFAOYSA-N
Compound name
2,4,5-trihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

849
Patents

170.02153 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.028806 129.8
[M+Na]+ 193.010748 138.7
[M-H]- 169.014254 129.2
[M+NH4]+ 188.055353 147.8
[M+K]+ 208.984688 136.5
[M+H-H2O]+ 153.018790 125.3
[M+HCOO]- 215.019731 149.1
[M+CH3COO]- 229.035381 169.4
[M+Na-2H]- 190.996196 133.7
[M]+ 170.02098142 128.5
[M]- 170.02207858 128.5
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