CID 53471984

2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride

Structural Information

Molecular Formula
C9H9F3N2
SMILES
C1CNCC2=C1N=C(C=C2)C(F)(F)F
InChI
InChI=1S/C9H9F3N2/c10-9(11,12)8-2-1-6-5-13-4-3-7(6)14-8/h1-2,13H,3-5H2
InChIKey
XTHCVKRDECVOHA-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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

No literature data available for this compound.

Patent stripe

patents stripe