CID 16075408

9-(2-chloro-6-fluoro-phenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine

Structural Information

Molecular Formula
C16H7ClF4N4
SMILES
C1=CC(=C(C(=C1)Cl)C2=NN=C3N2C4=NC=CC(=C4C=C3)C(F)(F)F)F
InChI
InChI=1S/C16H7ClF4N4/c17-10-2-1-3-11(18)13(10)15-24-23-12-5-4-8-9(16(19,20)21)6-7-22-14(8)25(12)15/h1-7H
InChIKey
UPALZROTGMSWER-UHFFFAOYSA-N
Compound name
9-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.02954 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.03682 180.6
[M+Na]+ 389.01876 196.0
[M-H]- 365.02226 180.1
[M+NH4]+ 384.06336 192.8
[M+K]+ 404.99270 186.1
[M+H-H2O]+ 349.02680 167.1
[M+HCOO]- 411.02774 189.7
[M+CH3COO]- 425.04339 190.6
[M+Na-2H]- 387.00421 185.2
[M]+ 366.02899 181.5
[M]- 366.03009 181.5
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

No patent data available for this compound.