CID 12412928

2,4-dihydroxybenzene-1,3,5-tricarbaldehyde

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 133.4
[M+Na]+ 217.01075 144.2
[M-H]- 193.01425 135.7
[M+NH4]+ 212.05535 152.2
[M+K]+ 232.98469 141.5
[M+H-H2O]+ 177.01879 128.5
[M+HCOO]- 239.01973 156.6
[M+CH3COO]- 253.03538 178.8
[M+Na-2H]- 214.99620 138.1
[M]+ 194.02098 136.3
[M]- 194.02208 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.