CID 13532246

573762-62-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

406
Patents

187.03574 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.043016 133.1
[M+Na]+ 210.024958 143.8
[M-H]- 186.028464 131.2
[M+NH4]+ 205.069563 149.1
[M+K]+ 225.998898 141.1
[M+H-H2O]+ 170.033000 118.1
[M+HCOO]- 232.033941 149.2
[M+CH3COO]- 246.049591 195.5
[M+Na-2H]- 208.010406 138.4
[M]+ 187.03519142 122.7
[M]- 187.03628858 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

literature stripe

Patent stripe

patents stripe