CID 136303

1-ethyl-4-fluorobenzene

Structural Information

Molecular Formula
C8H9F
SMILES
CCC1=CC=C(C=C1)F
InChI
InChI=1S/C8H9F/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChIKey
BLDNWXVISIXWKZ-UHFFFAOYSA-N
Compound name
1-ethyl-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4557
Patents

124.068825 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07610 123.4
[M+Na]+ 147.05804 137.0
[M+NH4]+ 142.10265 133.0
[M+K]+ 163.03198 129.4
[M-H]- 123.06155 125.4
[M+Na-2H]- 145.04349 131.5
[M]+ 124.06828 126.0
[M]- 124.06937 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe