CID 5148107

3-benzoyl-2,4-dichlorobenzaldehyde

Structural Information

Molecular Formula
C14H8Cl2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2Cl)C=O)Cl
InChI
InChI=1S/C14H8Cl2O2/c15-11-7-6-10(8-17)13(16)12(11)14(18)9-4-2-1-3-5-9/h1-8H
InChIKey
IHHONJLHTAQJOI-UHFFFAOYSA-N
Compound name
3-benzoyl-2,4-dichlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

277.99014 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.997416 155.0
[M+Na]+ 300.979358 165.9
[M-H]- 276.982864 161.6
[M+NH4]+ 296.023963 172.6
[M+K]+ 316.953298 159.3
[M+H-H2O]+ 260.987400 149.7
[M+HCOO]- 322.988341 169.6
[M+CH3COO]- 337.003991 196.9
[M+Na-2H]- 298.964806 158.6
[M]+ 277.98959142 159.7
[M]- 277.99068858 159.7
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

patents stripe