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

54
Patents

166.07939 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.086666 130.4
[M+Na]+ 189.068608 141.0
[M-H]- 165.072114 138.0
[M+NH4]+ 184.113213 147.1
[M+K]+ 205.042548 140.6
[M+H-H2O]+ 149.076650 123.8
[M+HCOO]- 211.077591 153.1
[M+CH3COO]- 225.093241 181.6
[M+Na-2H]- 187.054056 139.4
[M]+ 166.07884142 133.5
[M]- 166.07993858 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