CID 74076

1570-86-1

Structural Information

Molecular Formula

C₁₂H₁₃ClO

SMILES

CC1=CC=C(C=C1)CC2(CC2)C(=O)Cl

InChI

InChI=1S/C12H13ClO/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h2-5H,6-8H2,1H3

InChIKey

JNOQIWROIDIHDU-UHFFFAOYSA-N

Compound name

1-[(4-methylphenyl)methyl]cyclopropane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.06549 Da
Monoisotopic Mass: 3.4
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]+	209.072766	140.7
[M+Na]+	231.054708	150.8
[M-H]-	207.058214	148.3
[M+NH4]+	226.099313	157.6
[M+K]+	247.028648	147.1
[M+H-H2O]+	191.062750	135.8
[M+HCOO]-	253.063691	159.5
[M+CH3COO]-	267.079341	188.5
[M+Na-2H]-	229.040156	146.6
[M]+	208.06494142	145.5
[M]-	208.06603858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe