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

0
Patents

213.05565 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 145.2
[M+Na]+ 236.04487 151.9
[M-H]- 212.04837 148.1
[M+NH4]+ 231.08947 164.0
[M+K]+ 252.01881 148.7
[M+H-H2O]+ 196.05291 139.9
[M+HCOO]- 258.05385 164.1
[M+CH3COO]- 272.06950 186.5
[M+Na-2H]- 234.03032 149.2
[M]+ 213.05510 146.7
[M]- 213.05620 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.