CID 13752847

2-(4-chlorophenyl)-2-(1-cyclopropylethyl)oxirane

Structural Information

Molecular Formula
C13H15ClO
SMILES
CC(C1CC1)C2(CO2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H15ClO/c1-9(10-2-3-10)13(8-15-13)11-4-6-12(14)7-5-11/h4-7,9-10H,2-3,8H2,1H3
InChIKey
QKTOXOPFYCOLPV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-(1-cyclopropylethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

222.08115 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08843 130.8
[M+Na]+ 245.07037 145.9
[M+NH4]+ 240.11497 141.7
[M+K]+ 261.04431 141.9
[M-H]- 221.07387 148.5
[M+Na-2H]- 243.05582 145.3
[M]+ 222.08060 140.5
[M]- 222.08170 140.5
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