CID 23627

1-(2-chloroethyl)-3-phenylazetidine

Structural Information

Molecular Formula
C11H14ClN
SMILES
C1C(CN1CCCl)C2=CC=CC=C2
InChI
InChI=1S/C11H14ClN/c12-6-7-13-8-11(9-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
GVPOZUFTHSWHIV-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08148 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08876 134.8
[M+Na]+ 218.07070 145.1
[M+NH4]+ 213.11530 140.9
[M+K]+ 234.04464 138.8
[M-H]- 194.07420 136.2
[M+Na-2H]- 216.05615 141.6
[M]+ 195.08093 135.9
[M]- 195.08203 135.9
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.