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]+ 195.028806 133.4
[M+Na]+ 217.010748 144.2
[M-H]- 193.014254 135.7
[M+NH4]+ 212.055353 152.2
[M+K]+ 232.984688 141.5
[M+H-H2O]+ 177.018790 128.5
[M+HCOO]- 239.019731 156.6
[M+CH3COO]- 253.035381 178.8
[M+Na-2H]- 214.996196 138.1
[M]+ 194.02098142 136.3
[M]- 194.02207858 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

literature stripe

Patent stripe

patents stripe