CID 2758028

675602-90-1

Structural Information

Molecular Formula
C6H5F4N3
SMILES
C1=C(C(=C(C(=N1)N)F)C(F)(F)F)N
InChI
InChI=1S/C6H5F4N3/c7-4-3(6(8,9)10)2(11)1-13-5(4)12/h1H,11H2,(H2,12,13)
InChIKey
SMAJZLPBXNXMJE-UHFFFAOYSA-N
Compound name
3-fluoro-4-(trifluoromethyl)pyridine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04196 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04924 134.5
[M+Na]+ 218.03118 145.1
[M-H]- 194.03468 131.8
[M+NH4]+ 213.07578 152.1
[M+K]+ 234.00512 141.5
[M+H-H2O]+ 178.03922 125.2
[M+HCOO]- 240.04016 153.6
[M+CH3COO]- 254.05581 187.7
[M+Na-2H]- 216.01663 138.9
[M]+ 195.04141 126.0
[M]- 195.04251 126.0
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.