CID 60800296

3-(3-fluorophenyl)prop-2-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C9H8FN
SMILES
C1=CC(=CC(=C1)F)C#CCN
InChI
InChI=1S/C9H8FN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,6,11H2
InChIKey
TUKAWVFZKNEZGT-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

149.06407 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.071346 130.7
[M+Na]+ 172.053288 141.0
[M-H]- 148.056794 131.3
[M+NH4]+ 167.097893 149.4
[M+K]+ 188.027228 136.5
[M+H-H2O]+ 132.061330 118.5
[M+HCOO]- 194.062271 148.9
[M+CH3COO]- 208.077921 184.9
[M+Na-2H]- 170.038736 135.9
[M]+ 149.06352142 122.2
[M]- 149.06461858 122.2
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

patents stripe