CID 22615531

3-(4-chlorophenoxy)azetidine

Structural Information

Molecular Formula
C9H10ClNO
SMILES
C1C(CN1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H10ClNO/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2
InChIKey
LQKDDYJEXTWRLZ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

183.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.052366 129.4
[M+Na]+ 206.034308 136.9
[M-H]- 182.037814 133.0
[M+NH4]+ 201.078913 141.8
[M+K]+ 222.008248 135.6
[M+H-H2O]+ 166.042350 118.6
[M+HCOO]- 228.043291 145.4
[M+CH3COO]- 242.058941 180.0
[M+Na-2H]- 204.019756 136.2
[M]+ 183.04454142 137.5
[M]- 183.04563858 137.5
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