CID 11390177

34374-88-4

Structural Information

Molecular Formula
C9H6O6
SMILES
C(=O)C1=C(C(=C(C(=C1O)C=O)O)C=O)O
InChI
InChI=1S/C9H6O6/c10-1-4-7(13)5(2-11)9(15)6(3-12)8(4)14/h1-3,13-15H
InChIKey
KAPNIDMXEKQLMQ-UHFFFAOYSA-N
Compound name
2,4,6-trihydroxybenzene-1,3,5-tricarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

430
Patents

210.01643 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02371 136.3
[M+Na]+ 233.00565 147.3
[M-H]- 209.00915 137.5
[M+NH4]+ 228.05025 153.8
[M+K]+ 248.97959 144.5
[M+H-H2O]+ 193.01369 131.5
[M+HCOO]- 255.01463 158.1
[M+CH3COO]- 269.03028 180.2
[M+Na-2H]- 230.99110 139.9
[M]+ 210.01588 139.2
[M]- 210.01698 139.2
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