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 140.8
[M+Na]+ 248.04487 147.6
[M-H]- 224.04837 145.5
[M+NH4]+ 243.08947 152.0
[M+K]+ 264.01881 147.2
[M+H-H2O]+ 208.05291 129.1
[M+HCOO]- 270.05385 157.0
[M+CH3COO]- 284.06950 189.6
[M+Na-2H]- 246.03032 145.7
[M]+ 225.05510 151.4
[M]- 225.05620 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.