CID 357878

2-[4-(chloromethyl)phenyl]-1,3-dioxolane

Structural Information

Molecular Formula
C10H11ClO2
SMILES
C1COC(O1)C2=CC=C(C=C2)CCl
InChI
InChI=1S/C10H11ClO2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,10H,5-7H2
InChIKey
OSJJDHULSJSNFE-UHFFFAOYSA-N
Compound name
2-[4-(chloromethyl)phenyl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

198.04475 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.052026 140.9
[M+Na]+ 221.033968 149.0
[M-H]- 197.037474 148.5
[M+NH4]+ 216.078573 160.0
[M+K]+ 237.007908 147.6
[M+H-H2O]+ 181.042010 135.8
[M+HCOO]- 243.042951 158.4
[M+CH3COO]- 257.058601 154.8
[M+Na-2H]- 219.019416 147.0
[M]+ 198.04420142 142.9
[M]- 198.04529858 142.9
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

patents stripe