CID 155977957

5-(1,1,2,2,2-pentafluoroethyl)pyridin-3-amine hydrochloride

Structural Information

Molecular Formula
C7H5F5N2
SMILES
C1=C(C=NC=C1N)C(C(F)(F)F)(F)F
InChI
InChI=1S/C7H5F5N2/c8-6(9,7(10,11)12)4-1-5(13)3-14-2-4/h1-3H,13H2
InChIKey
AWGGPISCLKTQRO-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,2-pentafluoroethyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0373 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04458 137.6
[M+Na]+ 235.02652 147.1
[M-H]- 211.03002 133.5
[M+NH4]+ 230.07112 154.5
[M+K]+ 251.00046 143.8
[M+H-H2O]+ 195.03456 127.6
[M+HCOO]- 257.03550 153.3
[M+CH3COO]- 271.05115 187.4
[M+Na-2H]- 233.01197 143.8
[M]+ 212.03675 128.6
[M]- 212.03785 128.6
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.