CID 88783245

2-[(4-chlorophenyl)methyl]benzaldehyde

Structural Information

Molecular Formula
C14H11ClO
SMILES
C1=CC=C(C(=C1)CC2=CC=C(C=C2)Cl)C=O
InChI
InChI=1S/C14H11ClO/c15-14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-16/h1-8,10H,9H2
InChIKey
ZVVBWUHNZYTNBH-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

230.04984 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05712 147.9
[M+Na]+ 253.03906 157.6
[M-H]- 229.04256 154.8
[M+NH4]+ 248.08366 166.9
[M+K]+ 269.01300 151.8
[M+H-H2O]+ 213.04710 141.7
[M+HCOO]- 275.04804 168.1
[M+CH3COO]- 289.06369 189.3
[M+Na-2H]- 251.02451 154.1
[M]+ 230.04929 150.7
[M]- 230.05039 150.7
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