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

42
Patents

202.01968 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02696 133.6
[M+Na]+ 225.00890 145.1
[M-H]- 201.01240 140.8
[M+NH4]+ 220.05350 147.8
[M+K]+ 240.98284 142.4
[M+H-H2O]+ 185.01694 126.8
[M+HCOO]- 247.01788 152.5
[M+CH3COO]- 261.03353 185.8
[M+Na-2H]- 222.99435 140.9
[M]+ 202.01913 139.5
[M]- 202.02023 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