CID 130094586

6-amino-2-(difluoromethyl)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C7H5F2N3
SMILES
C1=CC(=NC(=C1C#N)C(F)F)N
InChI
InChI=1S/C7H5F2N3/c8-7(9)6-4(3-10)1-2-5(11)12-6/h1-2,7H,(H2,11,12)
InChIKey
PVUAFEMDMHHSSN-UHFFFAOYSA-N
Compound name
6-amino-2-(difluoromethyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04515 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05243 129.3
[M+Na]+ 192.03437 139.6
[M-H]- 168.03787 128.6
[M+NH4]+ 187.07897 145.9
[M+K]+ 208.00831 137.0
[M+H-H2O]+ 152.04241 114.8
[M+HCOO]- 214.04335 147.0
[M+CH3COO]- 228.05900 194.1
[M+Na-2H]- 190.01982 133.8
[M]+ 169.04460 120.2
[M]- 169.04570 120.2
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

No patent data available for this compound.