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

18
Patents

198.04475 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 140.9
[M+Na]+ 221.03397 149.0
[M-H]- 197.03747 148.5
[M+NH4]+ 216.07857 160.0
[M+K]+ 237.00791 147.6
[M+H-H2O]+ 181.04201 135.8
[M+HCOO]- 243.04295 158.4
[M+CH3COO]- 257.05860 154.8
[M+Na-2H]- 219.01942 147.0
[M]+ 198.04420 142.9
[M]- 198.04530 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