CID 163932057

2-chloro-4-ethynyl-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C8H3ClF3N
SMILES
C#CC1=CC(=NC=C1C(F)(F)F)Cl
InChI
InChI=1S/C8H3ClF3N/c1-2-5-3-7(9)13-4-6(5)8(10,11)12/h1,3-4H
InChIKey
RJMWFWVVVTZKBH-UHFFFAOYSA-N
Compound name
2-chloro-4-ethynyl-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.99062 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.99790 131.4
[M+Na]+ 227.97984 144.2
[M-H]- 203.98334 128.9
[M+NH4]+ 223.02444 148.1
[M+K]+ 243.95378 138.6
[M+H-H2O]+ 187.98788 118.0
[M+HCOO]- 249.98882 140.9
[M+CH3COO]- 264.00447 191.3
[M+Na-2H]- 225.96529 136.4
[M]+ 204.99007 124.0
[M]- 204.99117 124.0
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