CID 12731728

2,2-bis(chloromethyl)oxirane

Structural Information

Molecular Formula
C4H6Cl2O
SMILES
C1C(O1)(CCl)CCl
InChI
InChI=1S/C4H6Cl2O/c5-1-4(2-6)3-7-4/h1-3H2
InChIKey
QYMBUGYOVSCZTI-UHFFFAOYSA-N
Compound name
2,2-bis(chloromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

139.97957 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.98685 119.6
[M+Na]+ 162.96879 130.5
[M-H]- 138.97229 124.3
[M+NH4]+ 158.01339 138.1
[M+K]+ 178.94273 128.9
[M+H-H2O]+ 122.97683 116.6
[M+HCOO]- 184.97777 133.7
[M+CH3COO]- 198.99342 173.8
[M+Na-2H]- 160.95424 129.1
[M]+ 139.97902 125.6
[M]- 139.98012 125.6
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