CID 4054551

2-chlorobenzaldehyde ethylene ketal

Structural Information

Molecular Formula
C9H9ClO2
SMILES
C1COC(O1)C2=CC=CC=C2Cl
InChI
InChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKey
GAZHHIWZNZPXQM-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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 136.1
[M+Na]+ 207.01833 144.6
[M-H]- 183.02183 143.9
[M+NH4]+ 202.06293 155.8
[M+K]+ 222.99227 143.5
[M+H-H2O]+ 167.02637 131.2
[M+HCOO]- 229.02731 153.9
[M+CH3COO]- 243.04296 150.4
[M+Na-2H]- 205.00378 142.7
[M]+ 184.02856 137.7
[M]- 184.02966 137.7
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