CID 178200003

6-bromo-2-ethynyl-5-fluoropyridin-3-amine

Structural Information

Molecular Formula
C7H4BrFN2
SMILES
C#CC1=NC(=C(C=C1N)F)Br
InChI
InChI=1S/C7H4BrFN2/c1-2-6-5(10)3-4(9)7(8)11-6/h1,3H,10H2
InChIKey
ARKXWCFMZPNIKC-UHFFFAOYSA-N
Compound name
6-bromo-2-ethynyl-5-fluoropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.9542 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.961476 130.8
[M+Na]+ 236.943418 145.7
[M-H]- 212.946924 132.0
[M+NH4]+ 231.988023 149.2
[M+K]+ 252.917358 133.4
[M+H-H2O]+ 196.951460 123.5
[M+HCOO]- 258.952401 148.2
[M+CH3COO]- 272.968051 194.3
[M+Na-2H]- 234.928866 136.7
[M]+ 213.95365142 139.8
[M]- 213.95474858 139.8
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

No patent data available for this compound.