CID 10352473

(2r)-2-(3,4-dichlorophenyl)oxirane

Structural Information

Molecular Formula
C8H6Cl2O
SMILES
C1[C@H](O1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C8H6Cl2O/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8H,4H2/t8-/m0/s1
InChIKey
HIOFHWTUAOODBJ-QMMMGPOBSA-N
Compound name
(2R)-2-(3,4-dichlorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
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

literature stripe

Patent stripe

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