CID 3016376

4-chloromethylbenzophenone

Structural Information

Molecular Formula

C₁₄H₁₁ClO

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CCl

InChI

InChI=1S/C14H11ClO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H,10H2

InChIKey

PXFOBPPTJQWHRN-UHFFFAOYSA-N

Compound name

[4-(chloromethyl)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 230.04984 Da
Monoisotopic Mass: 3.7
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]+	231.057116	148.2
[M+Na]+	253.039058	156.7
[M-H]-	229.042564	154.8
[M+NH4]+	248.083663	166.8
[M+K]+	269.012998	151.3
[M+H-H2O]+	213.047100	141.9
[M+HCOO]-	275.048041	167.5
[M+CH3COO]-	289.063691	189.0
[M+Na-2H]-	251.024506	153.9
[M]+	230.04929142	150.0
[M]-	230.05038858	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe