CID 16217863

2-(3-fluorophenyl)but-3-yn-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

164.06374 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.071016 135.7
[M+Na]+ 187.052958 146.3
[M-H]- 163.056464 135.9
[M+NH4]+ 182.097563 153.8
[M+K]+ 203.026898 142.0
[M+H-H2O]+ 147.061000 124.4
[M+HCOO]- 209.061941 150.8
[M+CH3COO]- 223.077591 184.9
[M+Na-2H]- 185.038406 141.1
[M]+ 164.06319142 128.5
[M]- 164.06428858 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