CID 3048741

63967-11-3

Structural Information

Molecular Formula
C12H16ClNO3
SMILES
CCNC(=O)OC(COC1=CC=CC=C1)CCl
InChI
InChI=1S/C12H16ClNO3/c1-2-14-12(15)17-11(8-13)9-16-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15)
InChIKey
AYLZFWRLSOHSND-UHFFFAOYSA-N
Compound name
(1-chloro-3-phenoxypropan-2-yl) N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08188 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08916 156.9
[M+Na]+ 280.07110 162.7
[M-H]- 256.07460 159.9
[M+NH4]+ 275.11570 174.2
[M+K]+ 296.04504 159.9
[M+H-H2O]+ 240.07914 150.9
[M+HCOO]- 302.08008 175.9
[M+CH3COO]- 316.09573 194.5
[M+Na-2H]- 278.05655 160.9
[M]+ 257.08133 161.4
[M]- 257.08243 161.4
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.