CID 146081149

4-fluoro-2-(prop-2-yn-1-yl)phenol

Structural Information

Molecular Formula
C9H7FO
SMILES
C#CCC1=C(C=CC(=C1)F)O
InChI
InChI=1S/C9H7FO/c1-2-3-7-6-8(10)4-5-9(7)11/h1,4-6,11H,3H2
InChIKey
HXQVOMCZCARNQS-UHFFFAOYSA-N
Compound name
4-fluoro-2-prop-2-ynylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.0481 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05538 127.4
[M+Na]+ 173.03732 138.9
[M-H]- 149.04082 127.8
[M+NH4]+ 168.08192 146.2
[M+K]+ 189.01126 134.5
[M+H-H2O]+ 133.04536 116.0
[M+HCOO]- 195.04630 144.3
[M+CH3COO]- 209.06195 182.9
[M+Na-2H]- 171.02277 132.5
[M]+ 150.04755 120.7
[M]- 150.04865 120.7
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

No patent data available for this compound.