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 134.9
[M+Na]+ 218.07070 142.2
[M-H]- 194.07420 139.5
[M+NH4]+ 213.11530 147.7
[M+K]+ 234.04464 140.7
[M+H-H2O]+ 178.07874 123.7
[M+HCOO]- 240.07968 151.6
[M+CH3COO]- 254.09533 186.5
[M+Na-2H]- 216.05615 141.2
[M]+ 195.08093 144.2
[M]- 195.08203 144.2
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.