CID 122230439

N-(2,2-difluoroethyl)pyridin-3-amine

Structural Information

Molecular Formula
C7H8F2N2
SMILES
C1=CC(=CN=C1)NCC(F)F
InChI
InChI=1S/C7H8F2N2/c8-7(9)5-11-6-2-1-3-10-4-6/h1-4,7,11H,5H2
InChIKey
JCRZUJFKLUOXSC-UHFFFAOYSA-N
Compound name
N-(2,2-difluoroethyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.06555 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.072826 128.5
[M+Na]+ 181.054768 135.7
[M-H]- 157.058274 128.0
[M+NH4]+ 176.099373 147.5
[M+K]+ 197.028708 133.7
[M+H-H2O]+ 141.062810 119.9
[M+HCOO]- 203.063751 150.3
[M+CH3COO]- 217.079401 179.0
[M+Na-2H]- 179.040216 135.8
[M]+ 158.06500142 124.5
[M]- 158.06609858 124.5
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