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
(2R,3S)-2,3-bis(chloromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

530
Patents

139.97957 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.98685 120.1
[M+Na]+ 162.96879 131.3
[M-H]- 138.97229 124.8
[M+NH4]+ 158.01339 137.1
[M+K]+ 178.94273 128.7
[M+H-H2O]+ 122.97683 116.1
[M+HCOO]- 184.97777 134.5
[M+CH3COO]- 198.99342 175.2
[M+Na-2H]- 160.95424 128.0
[M]+ 139.97902 126.2
[M]- 139.98012 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