CID 11687290

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

Structural Information

Molecular Formula
C9H4ClF3N2
SMILES
C1=CC(=NC2=C1C(=NC=C2)Cl)C(F)(F)F
InChI
InChI=1S/C9H4ClF3N2/c10-8-5-1-2-7(9(11,12)13)15-6(5)3-4-14-8/h1-4H
InChIKey
YLBIPYOXHRQCQD-UHFFFAOYSA-N
Compound name
5-chloro-2-(trifluoromethyl)-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

232.00151 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.00879 141.8
[M+Na]+ 254.99073 154.0
[M-H]- 230.99423 140.1
[M+NH4]+ 250.03533 159.3
[M+K]+ 270.96467 148.1
[M+H-H2O]+ 214.99877 132.6
[M+HCOO]- 276.99971 154.1
[M+CH3COO]- 291.01536 188.1
[M+Na-2H]- 252.97618 150.2
[M]+ 232.00096 140.3
[M]- 232.00206 140.3
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