CID 53441003

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

Structural Information

Molecular Formula
C14H10F2O
SMILES
C1C(O1)(C2=CC=C(C=C2)F)C3=CC=CC=C3F
InChI
InChI=1S/C14H10F2O/c15-11-7-5-10(6-8-11)14(9-17-14)12-3-1-2-4-13(12)16/h1-8H,9H2
InChIKey
LJDVCWKAVLHZGH-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-2-(4-fluorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

232.06998 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07726 142.8
[M+Na]+ 255.05920 154.0
[M-H]- 231.06270 152.1
[M+NH4]+ 250.10380 156.6
[M+K]+ 271.03314 151.9
[M+H-H2O]+ 215.06724 134.0
[M+HCOO]- 277.06818 164.8
[M+CH3COO]- 291.08383 156.4
[M+Na-2H]- 253.04465 150.7
[M]+ 232.06943 144.1
[M]- 232.07053 144.1
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