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]+ 196.088756 134.9
[M+Na]+ 218.070698 142.2
[M-H]- 194.074204 139.5
[M+NH4]+ 213.115303 147.7
[M+K]+ 234.044638 140.7
[M+H-H2O]+ 178.078740 123.7
[M+HCOO]- 240.079681 151.6
[M+CH3COO]- 254.095331 186.5
[M+Na-2H]- 216.056146 141.2
[M]+ 195.08093142 144.2
[M]- 195.08202858 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.