CID 2747968

1,3,5-benzenetricarbaldehyde

Structural Information

Molecular Formula
C9H6O3
SMILES
C1=C(C=C(C=C1C=O)C=O)C=O
InChI
InChI=1S/C9H6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-6H
InChIKey
AEKQNAANFVOBCU-UHFFFAOYSA-N
Compound name
benzene-1,3,5-tricarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1477
Patents

162.0317 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.038976 127.3
[M+Na]+ 185.020918 137.5
[M-H]- 161.024424 131.8
[M+NH4]+ 180.065523 148.5
[M+K]+ 200.994858 135.4
[M+H-H2O]+ 145.028960 122.1
[M+HCOO]- 207.029901 153.3
[M+CH3COO]- 221.045551 177.0
[M+Na-2H]- 183.006366 134.5
[M]+ 162.03115142 130.4
[M]- 162.03224858 130.4
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