CID 15293916

2-(3-fluorophenyl)oxirane

Structural Information

Molecular Formula
C8H7FO
SMILES
C1C(O1)C2=CC(=CC=C2)F
InChI
InChI=1S/C8H7FO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2
InChIKey
HNBRZCKMGQHNJA-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

138.0481 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.055376 121.1
[M+Na]+ 161.037318 131.9
[M-H]- 137.040824 128.7
[M+NH4]+ 156.081923 137.0
[M+K]+ 177.011258 130.9
[M+H-H2O]+ 121.045360 113.9
[M+HCOO]- 183.046301 144.8
[M+CH3COO]- 197.061951 176.3
[M+Na-2H]- 159.022766 130.3
[M]+ 138.04755142 123.1
[M]- 138.04864858 123.1
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