CID 43379

60634-63-1

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

C1=CC=C(C=C1)CC(CCl)OC(=O)N

InChI

InChI=1S/C10H12ClNO2/c11-7-9(14-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,13)

InChIKey

FIVDTHQNVVFVLG-UHFFFAOYSA-N

Compound name

(1-chloro-3-phenylpropan-2-yl) carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 213.05565 Da
Monoisotopic Mass: 2.2
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]+	214.062926	145.2
[M+Na]+	236.044868	151.9
[M-H]-	212.048374	148.1
[M+NH4]+	231.089473	164.0
[M+K]+	252.018808	148.7
[M+H-H2O]+	196.052910	139.9
[M+HCOO]-	258.053851	164.1
[M+CH3COO]-	272.069501	186.5
[M+Na-2H]-	234.030316	149.2
[M]+	213.05510142	146.7
[M]-	213.05619858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe