CID 3036756

1-chloro-1,2-epoxypropane

Structural Information

Molecular Formula
C3H5ClO
SMILES
C[C@H]1[C@H](O1)Cl
InChI
InChI=1S/C3H5ClO/c1-2-3(4)5-2/h2-3H,1H3/t2-,3-/m0/s1
InChIKey
LRWZZZWJMFNZIK-HRFVKAFMSA-N
Compound name
(2R,3S)-2-chloro-3-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

92.00289 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.010166 111.2
[M+Na]+ 114.99211 122.9
[M-H]- 90.995614 117.1
[M+NH4]+ 110.03671 129.8
[M+K]+ 130.96605 122.0
[M+H-H2O]+ 75.000150 106.8
[M+HCOO]- 137.00109 130.9
[M+CH3COO]- 151.01674 167.6
[M+Na-2H]- 112.97756 120.4
[M]+ 92.002341 116.4
[M]- 92.003439 116.4
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.