CID 280070

2,2-bis(chloromethyl)-1,3-dioxolane

Structural Information

Molecular Formula
C5H8Cl2O2
SMILES
C1COC(O1)(CCl)CCl
InChI
InChI=1S/C5H8Cl2O2/c6-3-5(4-7)8-1-2-9-5/h1-4H2
InChIKey
FHJYNPLJBTVKBO-UHFFFAOYSA-N
Compound name
2,2-bis(chloromethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

169.99013 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99741 130.1
[M+Na]+ 192.97935 138.7
[M-H]- 168.98285 133.9
[M+NH4]+ 188.02395 152.4
[M+K]+ 208.95329 137.6
[M+H-H2O]+ 152.98739 127.6
[M+HCOO]- 214.98833 142.3
[M+CH3COO]- 229.00398 172.7
[M+Na-2H]- 190.96480 137.7
[M]+ 169.98958 132.9
[M]- 169.99068 132.9
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

No patent data available for this compound.