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

3
Patents

277.99014 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99742 155.0
[M+Na]+ 300.97936 165.9
[M-H]- 276.98286 161.6
[M+NH4]+ 296.02396 172.6
[M+K]+ 316.95330 159.3
[M+H-H2O]+ 260.98740 149.7
[M+HCOO]- 322.98834 169.6
[M+CH3COO]- 337.00399 196.9
[M+Na-2H]- 298.96481 158.6
[M]+ 277.98959 159.7
[M]- 277.99069 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