CID 2794902

2-hydroxy-1,3,5-benzenetricarbaldehyde

Structural Information

Molecular Formula
C9H6O4
SMILES
C1=C(C=C(C(=C1C=O)O)C=O)C=O
InChI
InChI=1S/C9H6O4/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-5,13H
InChIKey
HKAZHQGKWVMFHP-UHFFFAOYSA-N
Compound name
2-hydroxybenzene-1,3,5-tricarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

178.02661 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03389 130.4
[M+Na]+ 201.01583 140.9
[M-H]- 177.01933 133.8
[M+NH4]+ 196.06043 150.4
[M+K]+ 216.98977 138.5
[M+H-H2O]+ 161.02387 125.4
[M+HCOO]- 223.02481 155.0
[M+CH3COO]- 237.04046 177.8
[M+Na-2H]- 199.00128 136.3
[M]+ 178.02606 133.4
[M]- 178.02716 133.4
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