CID 19433434

3-chlorooxetane

Structural Information

Molecular Formula
C3H5ClO
SMILES
C1C(CO1)Cl
InChI
InChI=1S/C3H5ClO/c4-3-1-5-2-3/h3H,1-2H2
InChIKey
JHXMBKTYQFGDQM-UHFFFAOYSA-N
Compound name
3-chlorooxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

92.00289 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.010166 103.3
[M+Na]+ 114.992108 111.3
[M-H]- 90.995614 107.7
[M+NH4]+ 110.036713 120.2
[M+K]+ 130.966048 114.0
[M+H-H2O]+ 75.000150 95.6
[M+HCOO]- 137.001091 121.6
[M+CH3COO]- 151.016741 165.9
[M+Na-2H]- 112.977556 113.3
[M]+ 92.00234142 113.1
[M]- 92.00343858 113.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe