CID 137501

2-[(3,4-dichlorophenoxy)methyl]oxirane

Structural Information

Molecular Formula
C9H8Cl2O2
SMILES
C1C(O1)COC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H8Cl2O2/c10-8-2-1-6(3-9(8)11)12-4-7-5-13-7/h1-3,7H,4-5H2
InChIKey
NRLJEEOYPXGFOM-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

217.99013 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.997406 136.9
[M+Na]+ 240.979348 148.4
[M-H]- 216.982854 144.5
[M+NH4]+ 236.023953 150.9
[M+K]+ 256.953288 145.0
[M+H-H2O]+ 200.987390 131.7
[M+HCOO]- 262.988331 151.7
[M+CH3COO]- 277.003981 187.8
[M+Na-2H]- 238.964796 143.9
[M]+ 217.98958142 144.7
[M]- 217.99067858 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

No literature data available for this compound.

Patent stripe

patents stripe