CID 53409170

3-(2,3-dichlorophenoxy)azetidine hydrochloride

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
C1C(CN1)OC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C9H9Cl2NO/c10-7-2-1-3-8(9(7)11)13-6-4-12-5-6/h1-3,6,12H,4-5H2
InChIKey
SORWUTJILOQVHX-UHFFFAOYSA-N
Compound name
3-(2,3-dichlorophenoxy)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.00612 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01340 132.7
[M+Na]+ 239.99534 141.6
[M-H]- 215.99884 135.7
[M+NH4]+ 235.03994 144.6
[M+K]+ 255.96928 138.8
[M+H-H2O]+ 200.00338 122.8
[M+HCOO]- 262.00432 143.8
[M+CH3COO]- 276.01997 185.7
[M+Na-2H]- 237.98079 138.2
[M]+ 217.00557 142.1
[M]- 217.00667 142.1
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