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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.05712	148.6
[M+Na]+	253.03906	165.9
[M+NH4]+	248.08366	158.8
[M+K]+	269.01300	156.0
[M-H]-	229.04256	154.2
[M+Na-2H]-	251.02451	159.6
[M]+	230.04929	153.3
[M]-	230.05039	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe