CID 131208830

1-(2-chloro-5-fluorophenyl)prop-2-yn-1-ol

Structural Information

Molecular Formula
C9H6ClFO
SMILES
C#CC(C1=C(C=CC(=C1)F)Cl)O
InChI
InChI=1S/C9H6ClFO/c1-2-9(12)7-5-6(11)3-4-8(7)10/h1,3-5,9,12H
InChIKey
CHHRDKDJIKCAKK-UHFFFAOYSA-N
Compound name
1-(2-chloro-5-fluorophenyl)prop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.00912 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01640 132.1
[M+Na]+ 206.99834 145.2
[M+NH4]+ 202.04294 137.0
[M+K]+ 222.97228 135.7
[M-H]- 183.00184 124.6
[M+Na-2H]- 204.98379 135.6
[M]+ 184.00857 131.3
[M]- 184.00967 131.3
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.