CID 66520

2,4,6-trihydroxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

18
References

3770
Patents

170.02153 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02881 131.3
[M+Na]+ 193.01075 141.9
[M+NH4]+ 188.05535 137.1
[M+K]+ 208.98469 139.5
[M-H]- 169.01425 129.7
[M+Na-2H]- 190.99620 134.6
[M]+ 170.02098 131.9
[M]- 170.02208 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