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

71
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 136.9
[M+Na]+ 240.97935 148.4
[M-H]- 216.98285 144.5
[M+NH4]+ 236.02395 150.9
[M+K]+ 256.95329 145.0
[M+H-H2O]+ 200.98739 131.7
[M+HCOO]- 262.98833 151.7
[M+CH3COO]- 277.00398 187.8
[M+Na-2H]- 238.96480 143.9
[M]+ 217.98958 144.7
[M]- 217.99068 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