CID 59455262

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

Structural Information

Molecular Formula
C10H11FO
SMILES
CCC1(CO1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H11FO/c1-2-10(7-12-10)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKey
LFKGEMUJJMSEQY-UHFFFAOYSA-N
Compound name
2-ethyl-2-(4-fluorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

166.07939 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08667 130.4
[M+Na]+ 189.06861 141.0
[M-H]- 165.07211 138.0
[M+NH4]+ 184.11321 147.1
[M+K]+ 205.04255 140.6
[M+H-H2O]+ 149.07665 123.8
[M+HCOO]- 211.07759 153.1
[M+CH3COO]- 225.09324 181.6
[M+Na-2H]- 187.05406 139.4
[M]+ 166.07884 133.5
[M]- 166.07994 133.5
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