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

101
Patents

167.05017 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.057446 126.9
[M+Na]+ 190.039388 134.6
[M-H]- 166.042894 130.5
[M+NH4]+ 185.083993 140.1
[M+K]+ 206.013328 132.7
[M+H-H2O]+ 150.047430 116.3
[M+HCOO]- 212.048371 142.7
[M+CH3COO]- 226.064021 178.1
[M+Na-2H]- 188.024836 133.7
[M]+ 167.04962142 133.7
[M]- 167.05071858 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