CID 16217864

104684-14-2

Structural Information

Molecular Formula
C10H9FO
SMILES
CC(C#C)(C1=CC=CC=C1F)O
InChI
InChI=1S/C10H9FO/c1-3-10(2,12)8-6-4-5-7-9(8)11/h1,4-7,12H,2H3
InChIKey
OLJDZKKBLLNDGJ-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)but-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

164.06374 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07102 135.7
[M+Na]+ 187.05296 146.3
[M-H]- 163.05646 135.9
[M+NH4]+ 182.09756 153.8
[M+K]+ 203.02690 142.0
[M+H-H2O]+ 147.06100 124.4
[M+HCOO]- 209.06194 150.8
[M+CH3COO]- 223.07759 184.9
[M+Na-2H]- 185.03841 141.1
[M]+ 164.06319 128.5
[M]- 164.06429 128.5
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