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

62
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 136.8
[M+Na]+ 224.98444 154.1
[M+NH4]+ 220.02904 148.8
[M+K]+ 240.95838 146.0
[M-H]- 200.98794 148.8
[M+Na-2H]- 222.96989 149.2
[M]+ 201.99467 144.7
[M]- 201.99577 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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