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 123.4
[M+Na]+ 159.02166 135.2
[M-H]- 135.02516 123.9
[M+NH4]+ 154.06626 142.6
[M+K]+ 174.99560 131.0
[M+H-H2O]+ 119.02970 112.2
[M+HCOO]- 181.03064 140.5
[M+CH3COO]- 195.04629 180.2
[M+Na-2H]- 157.00711 128.9
[M]+ 136.03189 116.3
[M]- 136.03299 116.3
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