CID 11275105

1-(4-fluorophenyl)prop-2-yn-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

150.0481 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05538 129.3
[M+Na]+ 173.03732 139.7
[M-H]- 149.04082 129.4
[M+NH4]+ 168.08192 147.7
[M+K]+ 189.01126 135.5
[M+H-H2O]+ 133.04536 117.6
[M+HCOO]- 195.04630 145.2
[M+CH3COO]- 209.06195 182.6
[M+Na-2H]- 171.02277 133.7
[M]+ 150.04755 121.6
[M]- 150.04865 121.6
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.