CID 9964167

267875-68-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

158.06555 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.072826 129.1
[M+Na]+ 181.054768 137.1
[M-H]- 157.058274 128.3
[M+NH4]+ 176.099373 148.0
[M+K]+ 197.028708 134.6
[M+H-H2O]+ 141.062810 121.2
[M+HCOO]- 203.063751 149.7
[M+CH3COO]- 217.079401 177.8
[M+Na-2H]- 179.040216 137.1
[M]+ 158.06500142 124.2
[M]- 158.06609858 124.2
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