CID 54436980

2-[(2,4-dichlorophenyl)methyl]oxirane

Structural Information

Molecular Formula
C9H8Cl2O
SMILES
C1C(O1)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H8Cl2O/c10-7-2-1-6(9(11)4-7)3-8-5-12-8/h1-2,4,8H,3,5H2
InChIKey
VSKBJOHIYQXGRQ-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.99522 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00250 136.2
[M+Na]+ 224.98444 153.3
[M+NH4]+ 220.02904 146.9
[M+K]+ 240.95838 146.7
[M-H]- 200.98794 148.0
[M+Na-2H]- 222.96989 147.2
[M]+ 201.99467 143.8
[M]- 201.99577 143.8
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.