CID 81235933

2-chloro-1-cyclopropyl-2-phenylethan-1-one

Structural Information

Molecular Formula

C₁₁H₁₁ClO

SMILES

C1CC1C(=O)C(C2=CC=CC=C2)Cl

InChI

InChI=1S/C11H11ClO/c12-10(11(13)9-6-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2

InChIKey

GFPXYVDOQWHIOA-UHFFFAOYSA-N

Compound name

2-chloro-1-cyclopropyl-2-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 194.04984 Da
Monoisotopic Mass: 2.7
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]+	195.05712	135.7
[M+Na]+	217.03906	144.4
[M-H]-	193.04256	142.8
[M+NH4]+	212.08366	150.9
[M+K]+	233.01300	140.5
[M+H-H2O]+	177.04710	129.9
[M+HCOO]-	239.04804	154.3
[M+CH3COO]-	253.06369	185.8
[M+Na-2H]-	215.02451	140.8
[M]+	194.04929	138.9
[M]-	194.05039	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe