CID 82719

4-chloro-4'-methoxybenzophenone

Structural Information

Molecular Formula

C₁₄H₁₁ClO₂

SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H11ClO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3

InChIKey

JJVJYPSXZCEIEQ-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(4-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 69
Patents: 246.04475 Da
Monoisotopic Mass: 4.1
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]+	247.05203	151.5
[M+Na]+	269.03397	168.0
[M+NH4]+	264.07857	161.0
[M+K]+	285.00791	159.4
[M-H]-	245.03747	156.5
[M+Na-2H]-	267.01942	161.7
[M]+	246.04420	155.8
[M]-	246.04530	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe