CID 62773763

2-(3-chlorophenyl)-2-methyloxirane

Structural Information

Molecular Formula
C9H9ClO
SMILES
CC1(CO1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C9H9ClO/c1-9(6-11-9)7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
InChIKey
UXLHFQKFWDEHNQ-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-2-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.0342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.041476 129.1
[M+Na]+ 191.023418 140.5
[M-H]- 167.026924 137.8
[M+NH4]+ 186.068023 146.4
[M+K]+ 206.997358 139.0
[M+H-H2O]+ 151.031460 124.2
[M+HCOO]- 213.032401 148.5
[M+CH3COO]- 227.048051 144.0
[M+Na-2H]- 189.008866 138.6
[M]+ 168.03365142 134.6
[M]- 168.03474858 134.6
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