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

literature stripe

Patent stripe

patents stripe