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]+ 213.06769 140.9
[M+Na]+ 235.04963 150.6
[M-H]- 211.05313 149.0
[M+NH4]+ 230.09423 154.6
[M+K]+ 251.02357 148.3
[M+H-H2O]+ 195.05767 134.7
[M+HCOO]- 257.05861 159.4
[M+CH3COO]- 271.07426 188.7
[M+Na-2H]- 233.03508 147.3
[M]+ 212.05986 147.7
[M]- 212.06096 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.