CID 65575755

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

Structural Information

Molecular Formula
C10H10FN
SMILES
C#CC(CC1=CC(=CC=C1)F)N
InChI
InChI=1S/C10H10FN/c1-2-10(12)7-8-4-3-5-9(11)6-8/h1,3-6,10H,7,12H2
InChIKey
QBIKDYINKQLBRS-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)but-3-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

163.07973 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08701 135.5
[M+Na]+ 186.06895 145.0
[M-H]- 162.07245 136.0
[M+NH4]+ 181.11355 153.4
[M+K]+ 202.04289 140.6
[M+H-H2O]+ 146.07699 123.1
[M+HCOO]- 208.07793 152.4
[M+CH3COO]- 222.09358 189.6
[M+Na-2H]- 184.05440 139.0
[M]+ 163.07918 126.8
[M]- 163.08028 126.8
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