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]+ 173.016396 125.4
[M+Na]+ 194.998338 137.4
[M-H]- 171.001844 132.8
[M+NH4]+ 190.042943 140.9
[M+K]+ 210.972278 134.6
[M+H-H2O]+ 155.006380 119.0
[M+HCOO]- 217.007321 144.5
[M+CH3COO]- 231.022971 181.0
[M+Na-2H]- 192.983786 133.4
[M]+ 172.00857142 129.6
[M]- 172.00966858 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