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]+ 225.07892 149.8
[M+Na]+ 247.06086 157.1
[M-H]- 223.06436 156.3
[M+NH4]+ 242.10546 168.1
[M+K]+ 263.03480 154.2
[M+H-H2O]+ 207.06890 142.2
[M+HCOO]- 269.06984 168.9
[M+CH3COO]- 283.08549 189.0
[M+Na-2H]- 245.04631 155.0
[M]+ 224.07109 150.9
[M]- 224.07219 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.