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

34
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 149.3
[M+Na]+ 245.07037 156.9
[M-H]- 221.07387 159.1
[M+NH4]+ 240.11497 157.6
[M+K]+ 261.04431 157.1
[M+H-H2O]+ 205.07841 143.9
[M+HCOO]- 267.07935 164.1
[M+CH3COO]- 281.09500 159.9
[M+Na-2H]- 243.05582 153.7
[M]+ 222.08060 155.2
[M]- 222.08170 155.2
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