CID 23620

3-(4-chlorophenyl)azetidine

Structural Information

Molecular Formula
C9H10ClN
SMILES
C1C(CN1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H10ClN/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,11H,5-6H2
InChIKey
UPXXQMBUBSHBEZ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)azetidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

99
Patents

167.05017 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05745 126.7
[M+Na]+ 190.03939 136.8
[M+NH4]+ 185.08399 132.7
[M+K]+ 206.01333 131.3
[M-H]- 166.04289 127.7
[M+Na-2H]- 188.02484 133.4
[M]+ 167.04962 127.6
[M]- 167.05072 127.6
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

patents stripe