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]+ 151.055376 127.4
[M+Na]+ 173.037318 138.9
[M-H]- 149.040824 127.8
[M+NH4]+ 168.081923 146.2
[M+K]+ 189.011258 134.5
[M+H-H2O]+ 133.045360 116.0
[M+HCOO]- 195.046301 144.3
[M+CH3COO]- 209.061951 182.9
[M+Na-2H]- 171.022766 132.5
[M]+ 150.04755142 120.7
[M]- 150.04864858 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.