CID 155858653

2580201-53-0

Structural Information

Molecular Formula
C8H6ClFN2
SMILES
C1=C(C=NC(=C1C#CCN)F)Cl
InChI
InChI=1S/C8H6ClFN2/c9-7-4-6(2-1-3-11)8(10)12-5-7/h4-5H,3,11H2
InChIKey
INEREQYPHBDWJJ-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-fluoropyridin-3-yl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.02036 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02764 133.8
[M+Na]+ 207.00958 145.7
[M-H]- 183.01308 133.0
[M+NH4]+ 202.05418 150.9
[M+K]+ 222.98352 139.9
[M+H-H2O]+ 167.01762 121.5
[M+HCOO]- 229.01856 146.9
[M+CH3COO]- 243.03421 189.0
[M+Na-2H]- 204.99503 138.4
[M]+ 184.01981 127.3
[M]- 184.02091 127.3
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.