CID 5463810

2-(2,4-dichlorophenyl)-2-(2-propenyl)oxirane

Structural Information

Molecular Formula
C11H10Cl2O
SMILES
C=CCC1(CO1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H10Cl2O/c1-2-5-11(7-14-11)9-4-3-8(12)6-10(9)13/h2-4,6H,1,5,7H2
InChIKey
MXTPNUNSCNGUFB-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-2-prop-2-enyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.01086 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01814 140.8
[M+Na]+ 251.00008 152.4
[M-H]- 227.00358 148.4
[M+NH4]+ 246.04468 156.2
[M+K]+ 266.97402 148.5
[M+H-H2O]+ 211.00812 136.3
[M+HCOO]- 273.00906 154.7
[M+CH3COO]- 287.02471 190.3
[M+Na-2H]- 248.98553 147.8
[M]+ 228.01031 147.5
[M]- 228.01141 147.5
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

No patent data available for this compound.