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

15
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 133.0
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