CID 19702311

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 132.0
[M+Na]+ 194.99834 147.5
[M+NH4]+ 190.04294 141.9
[M+K]+ 210.97228 142.0
[M-H]- 171.00184 142.6
[M+Na-2H]- 192.98379 142.3
[M]+ 172.00857 138.6
[M]- 172.00967 138.6
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