CID 237901

4-(chloromethyl)-2-(4-chlorophenyl)-1,3-dioxolane

Structural Information

Molecular Formula
C10H10Cl2O2
SMILES
C1C(OC(O1)C2=CC=C(C=C2)Cl)CCl
InChI
InChI=1S/C10H10Cl2O2/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,9-10H,5-6H2
InChIKey
PWUSSDSFKIJXBB-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(4-chlorophenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.00578 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.013056 148.7
[M+Na]+ 254.994998 157.9
[M-H]- 230.998504 155.7
[M+NH4]+ 250.039603 167.0
[M+K]+ 270.968938 155.0
[M+H-H2O]+ 215.003040 144.1
[M+HCOO]- 277.003981 160.8
[M+CH3COO]- 291.019631 161.9
[M+Na-2H]- 252.980446 153.0
[M]+ 232.00523142 152.0
[M]- 232.00632858 152.0
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.