CID 2783071

51420-72-5

Structural Information

Molecular Formula
C10H5F6N3
SMILES
C1=CC(=NC2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C10H5F6N3/c11-9(12,13)5-3-6(10(14,15)16)18-8-4(5)1-2-7(17)19-8/h1-3H,(H2,17,18,19)
InChIKey
CLSSRJKZGCCBKL-UHFFFAOYSA-N
Compound name
5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

25
Patents

281.03876 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.04604 157.0
[M+Na]+ 304.02798 168.7
[M-H]- 280.03148 151.6
[M+NH4]+ 299.07258 171.2
[M+K]+ 320.00192 163.0
[M+H-H2O]+ 264.03602 144.9
[M+HCOO]- 326.03696 169.0
[M+CH3COO]- 340.05261 201.1
[M+Na-2H]- 302.01343 162.7
[M]+ 281.03821 148.1
[M]- 281.03931 148.1
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