CID 11481097

870483-68-4

Structural Information

Molecular Formula
C9H9F3N2
SMILES
C1CNCC2=C1N=CC(=C2)C(F)(F)F
InChI
InChI=1S/C9H9F3N2/c10-9(11,12)7-3-6-4-13-2-1-8(6)14-5-7/h3,5,13H,1-2,4H2
InChIKey
YVKYZZSGAOUFGK-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

202.07178 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07906 140.8
[M+Na]+ 225.06100 148.9
[M-H]- 201.06450 136.9
[M+NH4]+ 220.10560 157.5
[M+K]+ 241.03494 144.3
[M+H-H2O]+ 185.06904 131.3
[M+HCOO]- 247.06998 153.4
[M+CH3COO]- 261.08563 181.2
[M+Na-2H]- 223.04645 147.8
[M]+ 202.07123 132.1
[M]- 202.07233 132.1
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