CID 83854656

1256786-89-6

Structural Information

Molecular Formula
C7H8F2N2
SMILES
C1=C(C=NC=C1C(F)F)CN
InChI
InChI=1S/C7H8F2N2/c8-7(9)6-1-5(2-10)3-11-4-6/h1,3-4,7H,2,10H2
InChIKey
WMXKXSRXJDVHMA-UHFFFAOYSA-N
Compound name
[5-(difluoromethyl)-3-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.06555 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.072826 128.9
[M+Na]+ 181.054768 137.1
[M-H]- 157.058274 128.3
[M+NH4]+ 176.099373 148.0
[M+K]+ 197.028708 134.7
[M+H-H2O]+ 141.062810 120.7
[M+HCOO]- 203.063751 150.1
[M+CH3COO]- 217.079401 179.5
[M+Na-2H]- 179.040216 134.4
[M]+ 158.06500142 124.3
[M]- 158.06609858 124.3
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.