CID 14550764

2-[(4-chloro-3-fluorophenoxy)methyl]oxirane

Structural Information

Molecular Formula
C9H8ClFO2
SMILES
C1C(O1)COC2=CC(=C(C=C2)Cl)F
InChI
InChI=1S/C9H8ClFO2/c10-8-2-1-6(3-9(8)11)12-4-7-5-13-7/h1-3,7H,4-5H2
InChIKey
UMWOUFHXYAAMSW-UHFFFAOYSA-N
Compound name
2-[(4-chloro-3-fluorophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

202.01968 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.026956 133.6
[M+Na]+ 225.008898 145.1
[M-H]- 201.012404 140.8
[M+NH4]+ 220.053503 147.8
[M+K]+ 240.982838 142.4
[M+H-H2O]+ 185.016940 126.8
[M+HCOO]- 247.017881 152.5
[M+CH3COO]- 261.033531 185.8
[M+Na-2H]- 222.994346 140.9
[M]+ 202.01913142 139.5
[M]- 202.02022858 139.5
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