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

4
Patents

149.06407 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07135 130.7
[M+Na]+ 172.05329 141.0
[M-H]- 148.05679 131.3
[M+NH4]+ 167.09789 149.4
[M+K]+ 188.02723 136.5
[M+H-H2O]+ 132.06133 118.5
[M+HCOO]- 194.06227 148.9
[M+CH3COO]- 208.07792 184.9
[M+Na-2H]- 170.03874 135.9
[M]+ 149.06352 122.2
[M]- 149.06462 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