CID 19992437

2-(2,4-dichlorophenyl)-2-methyloxirane

Structural Information

Molecular Formula
C9H8Cl2O
SMILES
CC1(CO1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H8Cl2O/c1-9(5-12-9)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3
InChIKey
WCIUFOJBKPQZKW-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-2-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

201.99522 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00250 132.7
[M+Na]+ 224.98444 144.8
[M-H]- 200.98794 140.6
[M+NH4]+ 220.02904 149.2
[M+K]+ 240.95838 142.0
[M+H-H2O]+ 184.99248 128.6
[M+HCOO]- 246.99342 147.0
[M+CH3COO]- 261.00907 147.0
[M+Na-2H]- 222.96989 140.7
[M]+ 201.99467 139.3
[M]- 201.99577 139.3
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.