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]+ 203.002496 133.6
[M+Na]+ 224.984438 145.1
[M-H]- 200.987944 141.1
[M+NH4]+ 220.029043 148.2
[M+K]+ 240.958378 141.3
[M+H-H2O]+ 184.992480 128.4
[M+HCOO]- 246.993421 148.2
[M+CH3COO]- 261.009071 185.9
[M+Na-2H]- 222.969886 140.6
[M]+ 201.99467142 139.9
[M]- 201.99576858 139.9
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.