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]+ 226.062926 140.8
[M+Na]+ 248.044868 147.6
[M-H]- 224.048374 145.5
[M+NH4]+ 243.089473 152.0
[M+K]+ 264.018808 147.2
[M+H-H2O]+ 208.052910 129.1
[M+HCOO]- 270.053851 157.0
[M+CH3COO]- 284.069501 189.6
[M+Na-2H]- 246.030316 145.7
[M]+ 225.05510142 151.4
[M]- 225.05619858 151.4
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.