CID 43113

2-(p-chlorophenyl)-2,4-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C11H13ClO2
SMILES
CC1COC(O1)(C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H13ClO2/c1-8-7-13-11(2,14-8)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey
GGLVIOWOIAAAQK-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.06041 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06769 143.3
[M+Na]+ 235.04963 152.8
[M-H]- 211.05313 151.6
[M+NH4]+ 230.09423 164.3
[M+K]+ 251.02357 151.5
[M+H-H2O]+ 195.05767 139.1
[M+HCOO]- 257.05861 160.5
[M+CH3COO]- 271.07426 183.4
[M+Na-2H]- 233.03508 149.5
[M]+ 212.05986 146.4
[M]- 212.06096 146.4
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