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

66
Patents

217.99013 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.99741 139.4
[M+Na]+ 240.97935 156.0
[M+NH4]+ 236.02395 149.5
[M+K]+ 256.95329 149.9
[M-H]- 216.98285 150.7
[M+Na-2H]- 238.96480 149.9
[M]+ 217.98958 146.8
[M]- 217.99068 146.8
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