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 133.6
[M+Na]+ 224.98444 145.1
[M-H]- 200.98794 141.1
[M+NH4]+ 220.02904 148.2
[M+K]+ 240.95838 141.3
[M+H-H2O]+ 184.99248 128.4
[M+HCOO]- 246.99342 148.2
[M+CH3COO]- 261.00907 185.9
[M+Na-2H]- 222.96989 140.6
[M]+ 201.99467 139.9
[M]- 201.99577 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.