CID 23620

7215-02-3

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

103
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 126.9
[M+Na]+ 190.03939 134.6
[M-H]- 166.04289 130.5
[M+NH4]+ 185.08399 140.1
[M+K]+ 206.01333 132.7
[M+H-H2O]+ 150.04743 116.3
[M+HCOO]- 212.04837 142.7
[M+CH3COO]- 226.06402 178.1
[M+Na-2H]- 188.02484 133.7
[M]+ 167.04962 133.7
[M]- 167.05072 133.7
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