CID 5252373

3-(4-fluorophenyl)propiolic acid

Structural Information

Molecular Formula
C9H5FO2
SMILES
C1=CC(=CC=C1C#CC(=O)O)F
InChI
InChI=1S/C9H5FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,(H,11,12)
InChIKey
YFYQXNQRGCVMRV-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

164.02736 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03464 134.3
[M+Na]+ 187.01658 146.0
[M+NH4]+ 182.06118 138.1
[M+K]+ 202.99052 137.1
[M-H]- 163.02008 126.0
[M+Na-2H]- 185.00203 137.0
[M]+ 164.02681 132.6
[M]- 164.02791 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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