CID 11206265

2-(2,6-dichlorophenyl)oxirane

Structural Information

Molecular Formula
C8H6Cl2O
SMILES
C1C(O1)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C8H6Cl2O/c9-5-2-1-3-6(10)8(5)7-4-11-7/h1-3,7H,4H2
InChIKey
OABUMCRYAMBARC-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

187.97957 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.98685 129.2
[M+Na]+ 210.96879 141.1
[M-H]- 186.97229 136.8
[M+NH4]+ 206.01339 144.4
[M+K]+ 226.94273 137.6
[M+H-H2O]+ 170.97683 124.2
[M+HCOO]- 232.97777 144.1
[M+CH3COO]- 246.99342 143.5
[M+Na-2H]- 208.95424 136.7
[M]+ 187.97902 135.1
[M]- 187.98012 135.1
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

patents stripe