CID 12412928

58343-11-6

Structural Information

Molecular Formula
C9H6O5
SMILES
C1=C(C(=C(C(=C1C=O)O)C=O)O)C=O
InChI
InChI=1S/C9H6O5/c10-2-5-1-6(3-11)9(14)7(4-12)8(5)13/h1-4,13-14H
InChIKey
CEPNDKRJQPJVNM-UHFFFAOYSA-N
Compound name
2,4-dihydroxybenzene-1,3,5-tricarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

194.02153 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02881 137.3
[M+Na]+ 217.01075 149.5
[M+NH4]+ 212.05535 143.1
[M+K]+ 232.98469 145.2
[M-H]- 193.01425 136.6
[M+Na-2H]- 214.99620 141.4
[M]+ 194.02098 138.5
[M]- 194.02208 138.5
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