CID 62774868

2-(4-chloro-3-fluorophenyl)oxirane

Structural Information

Molecular Formula
C8H6ClFO
SMILES
C1C(O1)C2=CC(=C(C=C2)Cl)F
InChI
InChI=1S/C8H6ClFO/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8H,4H2
InChIKey
MKWFGFSBZALPJL-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-fluorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

172.00912 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01640 125.4
[M+Na]+ 194.99834 137.4
[M-H]- 171.00184 132.8
[M+NH4]+ 190.04294 140.9
[M+K]+ 210.97228 134.6
[M+H-H2O]+ 155.00638 119.0
[M+HCOO]- 217.00732 144.5
[M+CH3COO]- 231.02297 181.0
[M+Na-2H]- 192.98379 133.4
[M]+ 172.00857 129.6
[M]- 172.00967 129.6
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