CID 305775

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

Structural Information

Molecular Formula
C9H9ClO2
SMILES
C1COC(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H9ClO2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKey
NYXNQWTXUSTEGL-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

184.02911 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 134.3
[M+Na]+ 207.01833 148.5
[M+NH4]+ 202.06293 144.3
[M+K]+ 222.99227 143.6
[M-H]- 183.02183 141.0
[M+Na-2H]- 205.00378 141.7
[M]+ 184.02856 138.6
[M]- 184.02966 138.6
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