CID 137944100

2287298-09-1

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1C(CN1C(=O)Cl)OCC2=CC=CC=C2
InChI
InChI=1S/C11H12ClNO2/c12-11(14)13-6-10(7-13)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
XNLHOXNREGKESU-UHFFFAOYSA-N
Compound name
3-phenylmethoxyazetidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05565 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 142.0
[M+Na]+ 248.04487 151.0
[M+NH4]+ 243.08947 146.5
[M+K]+ 264.01881 146.3
[M-H]- 224.04837 141.9
[M+Na-2H]- 246.03032 147.2
[M]+ 225.05510 142.3
[M]- 225.05620 142.3
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

No patent data available for this compound.