CID 16217862

2-(4-fluorophenyl)-3-butyn-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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

literature stripe

Patent stripe

patents stripe