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]+ 169.04148 129.1
[M+Na]+ 191.02342 140.5
[M-H]- 167.02692 137.8
[M+NH4]+ 186.06802 146.4
[M+K]+ 206.99736 139.0
[M+H-H2O]+ 151.03146 124.2
[M+HCOO]- 213.03240 148.5
[M+CH3COO]- 227.04805 144.0
[M+Na-2H]- 189.00887 138.6
[M]+ 168.03365 134.6
[M]- 168.03475 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