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

57
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 131.2
[M+Na]+ 173.03732 143.4
[M+NH4]+ 168.08192 135.9
[M+K]+ 189.01126 134.1
[M-H]- 149.04082 123.6
[M+Na-2H]- 171.02277 134.6
[M]+ 150.04755 129.9
[M]- 150.04865 129.9
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