CID 130935614

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

Structural Information

Molecular Formula
C7H5F2N3O
SMILES
C1=CC(=NC(=C1C#N)OC(F)F)N
InChI
InChI=1S/C7H5F2N3O/c8-7(9)13-6-4(3-10)1-2-5(11)12-6/h1-2,7H,(H2,11,12)
InChIKey
FBDARBSCEJIXSC-UHFFFAOYSA-N
Compound name
6-amino-2-(difluoromethoxy)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.04007 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04735 131.5
[M+Na]+ 208.02929 141.6
[M-H]- 184.03279 130.6
[M+NH4]+ 203.07389 147.4
[M+K]+ 224.00323 139.6
[M+H-H2O]+ 168.03733 116.7
[M+HCOO]- 230.03827 149.3
[M+CH3COO]- 244.05392 195.9
[M+Na-2H]- 206.01474 135.9
[M]+ 185.03952 123.6
[M]- 185.04062 123.6
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.