CID 86828

2-(3-chloropropyl)oxirane

Structural Information

Molecular Formula
C5H9ClO
SMILES
C1C(O1)CCCCl
InChI
InChI=1S/C5H9ClO/c6-3-1-2-5-4-7-5/h5H,1-4H2
InChIKey
LSOXTBBDZHIHDE-UHFFFAOYSA-N
Compound name
2-(3-chloropropyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

120.034195 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.041471 120.5
[M+Na]+ 143.023413 130.6
[M-H]- 119.026919 125.7
[M+NH4]+ 138.068018 137.8
[M+K]+ 158.997353 129.3
[M+H-H2O]+ 103.031455 115.5
[M+HCOO]- 165.032396 139.7
[M+CH3COO]- 179.048046 172.3
[M+Na-2H]- 141.008861 129.3
[M]+ 120.03364642 126.1
[M]- 120.03474358 126.1
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

patents stripe