CID 6452788

Cis-1,4-dichloro-2,3-epoxybutane

Structural Information

Molecular Formula
C4H6Cl2O
SMILES
C([C@@H]1[C@@H](O1)CCl)Cl
InChI
InChI=1S/C4H6Cl2O/c5-1-3-4(2-6)7-3/h3-4H,1-2H2/t3-,4+
InChIKey
VUSYFNXNYLAECV-ZXZARUISSA-N
Compound name
(2S,3R)-2,3-bis(chloromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

621
Patents

139.97957 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.986846 120.1
[M+Na]+ 162.968788 131.3
[M-H]- 138.972294 124.8
[M+NH4]+ 158.013393 137.1
[M+K]+ 178.942728 128.7
[M+H-H2O]+ 122.976830 116.1
[M+HCOO]- 184.977771 134.5
[M+CH3COO]- 198.993421 175.2
[M+Na-2H]- 160.954236 128.0
[M]+ 139.97902142 126.2
[M]- 139.98011858 126.2
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