CID 66732970

2-amino-5-(trifluoromethyl)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C7H4F3N3
SMILES
C1=C(C=NC(=C1C#N)N)C(F)(F)F
InChI
InChI=1S/C7H4F3N3/c8-7(9,10)5-1-4(2-11)6(12)13-3-5/h1,3H,(H2,12,13)
InChIKey
ZMWLGKLNLHLZHY-UHFFFAOYSA-N
Compound name
2-amino-5-(trifluoromethyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

187.03574 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04302 133.1
[M+Na]+ 210.02496 143.8
[M-H]- 186.02846 131.2
[M+NH4]+ 205.06956 149.1
[M+K]+ 225.99890 141.1
[M+H-H2O]+ 170.03300 118.1
[M+HCOO]- 232.03394 149.2
[M+CH3COO]- 246.04959 195.5
[M+Na-2H]- 208.01041 138.4
[M]+ 187.03519 122.7
[M]- 187.03629 122.7
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