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]+ 196.09323 138.9
[M+Na]+ 218.07517 148.6
[M-H]- 194.07867 138.6
[M+NH4]+ 213.11977 156.0
[M+K]+ 234.04911 144.2
[M+H-H2O]+ 178.08321 125.6
[M+HCOO]- 240.08415 155.1
[M+CH3COO]- 254.09980 196.4
[M+Na-2H]- 216.06062 141.8
[M]+ 195.08540 130.7
[M]- 195.08650 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.