CID 17941

2902-98-9

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O

SMILES

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

InChI

InChI=1S/C14H10Cl2O/c15-13(17)14(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChIKey

NFHKZAUDRWRXMZ-UHFFFAOYSA-N

Compound name

2-chloro-2,2-diphenylacetyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 141
Patents: 264.01086 Da
Monoisotopic Mass: 4.6
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]+	265.01814	154.8
[M+Na]+	287.00008	163.1
[M-H]-	263.00358	160.6
[M+NH4]+	282.04468	172.2
[M+K]+	302.97402	156.7
[M+H-H2O]+	247.00812	149.2
[M+HCOO]-	309.00906	167.3
[M+CH3COO]-	323.02471	192.8
[M+Na-2H]-	284.98553	161.0
[M]+	264.01031	157.0
[M]-	264.01141	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe