CID 21526289

3-chloro-4-phenylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

216.0342 Da
Monoisotopic Mass

4.1
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

No literature data available for this compound.

Patent stripe

patents stripe