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

72
Patents

183.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 129.4
[M+Na]+ 206.03431 136.9
[M-H]- 182.03781 133.0
[M+NH4]+ 201.07891 141.8
[M+K]+ 222.00825 135.6
[M+H-H2O]+ 166.04235 118.6
[M+HCOO]- 228.04329 145.4
[M+CH3COO]- 242.05894 180.0
[M+Na-2H]- 204.01976 136.2
[M]+ 183.04454 137.5
[M]- 183.04564 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