CID 22380004

6-(trifluoromethyl)pyridine-3,4-diamine

Structural Information

Molecular Formula
C6H6F3N3
SMILES
C1=C(C(=CN=C1C(F)(F)F)N)N
InChI
InChI=1S/C6H6F3N3/c7-6(8,9)5-1-3(10)4(11)2-12-5/h1-2H,11H2,(H2,10,12)
InChIKey
ZXYMLNXDEYTMJX-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

177.05138 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.058656 131.6
[M+Na]+ 200.040598 141.2
[M-H]- 176.044104 129.9
[M+NH4]+ 195.085203 149.8
[M+K]+ 216.014538 138.1
[M+H-H2O]+ 160.048640 123.0
[M+HCOO]- 222.049581 151.8
[M+CH3COO]- 236.065231 183.6
[M+Na-2H]- 198.026046 137.3
[M]+ 177.05083142 124.0
[M]- 177.05192858 124.0
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

patents stripe