CID 89300720

4-ethynyl-2-fluorophenol

Structural Information

Molecular Formula
C8H5FO
SMILES
C#CC1=CC(=C(C=C1)O)F
InChI
InChI=1S/C8H5FO/c1-2-6-3-4-8(10)7(9)5-6/h1,3-5,10H
InChIKey
XQQDAJUKOVTXRT-UHFFFAOYSA-N
Compound name
4-ethynyl-2-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

136.03244 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03972 126.0
[M+Na]+ 159.02166 139.0
[M+NH4]+ 154.06626 130.9
[M+K]+ 174.99560 129.5
[M-H]- 135.02516 118.7
[M+Na-2H]- 157.00711 129.8
[M]+ 136.03189 125.0
[M]- 136.03299 125.0
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