CID 1392515

216443-25-3

Structural Information

Molecular Formula
C13H9ClO
SMILES
C1=CC=C(C(=C1)C=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H9ClO/c14-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-15/h1-9H
InChIKey
QPYBBMYVPFPRHE-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

27
Patents

216.0342 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.041476 143.1
[M+Na]+ 239.023418 153.3
[M-H]- 215.026924 150.2
[M+NH4]+ 234.068023 162.7
[M+K]+ 254.997358 147.7
[M+H-H2O]+ 199.031460 137.2
[M+HCOO]- 261.032401 163.7
[M+CH3COO]- 275.048051 186.3
[M+Na-2H]- 237.008866 149.9
[M]+ 216.03365142 145.6
[M]- 216.03474858 145.6
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