CID 11674006

8-bromo-5-chloro-2-(trifluoromethyl)-1,6-naphthyridine

Structural Information

Molecular Formula
C9H3BrClF3N2
SMILES
C1=CC(=NC2=C1C(=NC=C2Br)Cl)C(F)(F)F
InChI
InChI=1S/C9H3BrClF3N2/c10-5-3-15-8(11)4-1-2-6(9(12,13)14)16-7(4)5/h1-3H
InChIKey
VMXJJEPJVHNBJF-UHFFFAOYSA-N
Compound name
8-bromo-5-chloro-2-(trifluoromethyl)-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.91202 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.91930 154.1
[M+Na]+ 332.90124 170.1
[M-H]- 308.90474 155.8
[M+NH4]+ 327.94584 172.7
[M+K]+ 348.87518 155.9
[M+H-H2O]+ 292.90928 151.9
[M+HCOO]- 354.91022 164.7
[M+CH3COO]- 368.92587 198.6
[M+Na-2H]- 330.88669 162.5
[M]+ 309.91147 171.7
[M]- 309.91257 171.7
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