CID 3388045

2-{[1-(4-chlorophenyl)ethoxy]methyl}oxirane

Structural Information

Molecular Formula
C11H13ClO2
SMILES
CC(C1=CC=C(C=C1)Cl)OCC2CO2
InChI
InChI=1S/C11H13ClO2/c1-8(13-6-11-7-14-11)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3
InChIKey
JGGQRANUJHVHLH-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)ethoxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06041 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.067686 140.9
[M+Na]+ 235.049628 150.6
[M-H]- 211.053134 149.0
[M+NH4]+ 230.094233 154.6
[M+K]+ 251.023568 148.3
[M+H-H2O]+ 195.057670 134.7
[M+HCOO]- 257.058611 159.4
[M+CH3COO]- 271.074261 188.7
[M+Na-2H]- 233.035076 147.3
[M]+ 212.05986142 147.7
[M]- 212.06095858 147.7
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

No patent data available for this compound.