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

331
Patents

210.01643 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.023706 136.3
[M+Na]+ 233.005648 147.3
[M-H]- 209.009154 137.5
[M+NH4]+ 228.050253 153.8
[M+K]+ 248.979588 144.5
[M+H-H2O]+ 193.013690 131.5
[M+HCOO]- 255.014631 158.1
[M+CH3COO]- 269.030281 180.2
[M+Na-2H]- 230.991096 139.9
[M]+ 210.01588142 139.2
[M]- 210.01697858 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