CID 81985

7473-99-6

Structural Information

Molecular Formula

C₁₀H₁₁ClO

SMILES

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

InChI

InChI=1S/C10H11ClO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

NUJHTYRNHYOUKO-UHFFFAOYSA-N

Compound name

2-chloro-2-methyl-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 72
Patents: 182.04984 Da
Monoisotopic Mass: 2.8
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]+	183.057116	136.2
[M+Na]+	205.039058	144.5
[M-H]-	181.042564	139.9
[M+NH4]+	200.083663	157.1
[M+K]+	221.012998	141.1
[M+H-H2O]+	165.047100	131.9
[M+HCOO]-	227.048041	153.8
[M+CH3COO]-	241.063691	180.5
[M+Na-2H]-	203.024506	143.0
[M]+	182.04929142	138.2
[M]-	182.05038858	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe