CID 2760649

82278-33-9

Structural Information

Molecular Formula

C₁₃H₁₅ClO

SMILES

CC1=CC=C(C=C1)C2(CCCC2)C(=O)Cl

InChI

InChI=1S/C13H15ClO/c1-10-4-6-11(7-5-10)13(12(14)15)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3

InChIKey

ARYYJZHJKHGPKI-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)cyclopentane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.08115 Da
Monoisotopic Mass: 4.2
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]+	223.08843	149.8
[M+Na]+	245.07037	157.5
[M-H]-	221.07387	156.3
[M+NH4]+	240.11497	172.5
[M+K]+	261.04431	152.9
[M+H-H2O]+	205.07841	144.7
[M+HCOO]-	267.07935	167.3
[M+CH3COO]-	281.09500	186.1
[M+Na-2H]-	243.05582	152.5
[M]+	222.08060	149.2
[M]-	222.08170	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe