CID 121273

3-(2-chloroethyl)-2-phenyliminooxazolidine hydrochloride

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
C1COC(=NC2=CC=CC=C2)N1CCCl
InChI
InChI=1S/C11H13ClN2O/c12-6-7-14-8-9-15-11(14)13-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
BTGCZGHTTIOXEQ-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-N-phenyl-1,3-oxazolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07164 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.078916 149.8
[M+Na]+ 247.060858 157.1
[M-H]- 223.064364 156.3
[M+NH4]+ 242.105463 168.1
[M+K]+ 263.034798 154.2
[M+H-H2O]+ 207.068900 142.2
[M+HCOO]- 269.069841 168.9
[M+CH3COO]- 283.085491 189.0
[M+Na-2H]- 245.046306 155.0
[M]+ 224.07109142 150.9
[M]- 224.07218858 150.9
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.