CID 15400823

2287285-24-7

Structural Information

Molecular Formula
C9H8FN
SMILES
C#CC(C1=CC=C(C=C1)F)N
InChI
InChI=1S/C9H8FN/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9H,11H2
InChIKey
WVPIGYWIRWLMMC-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

149.06407 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07135 131.5
[M+Na]+ 172.05329 141.3
[M-H]- 148.05679 132.1
[M+NH4]+ 167.09789 149.9
[M+K]+ 188.02723 137.2
[M+H-H2O]+ 132.06133 119.3
[M+HCOO]- 194.06227 148.7
[M+CH3COO]- 208.07792 186.9
[M+Na-2H]- 170.03874 135.4
[M]+ 149.06352 122.5
[M]- 149.06462 122.5
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