CID 65590005

[1-(2,4-difluorophenyl)but-3-yn-2-yl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C11H11F2N
SMILES
CNC(CC1=C(C=C(C=C1)F)F)C#C
InChI
InChI=1S/C11H11F2N/c1-3-10(14-2)6-8-4-5-9(12)7-11(8)13/h1,4-5,7,10,14H,6H2,2H3
InChIKey
DSZGXXIVWBJBQU-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-N-methylbut-3-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08595 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.093226 138.9
[M+Na]+ 218.075168 148.6
[M-H]- 194.078674 138.6
[M+NH4]+ 213.119773 156.0
[M+K]+ 234.049108 144.2
[M+H-H2O]+ 178.083210 125.6
[M+HCOO]- 240.084151 155.1
[M+CH3COO]- 254.099801 196.4
[M+Na-2H]- 216.060616 141.8
[M]+ 195.08540142 130.7
[M]- 195.08649858 130.7
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

No patent data available for this compound.