CID 44890805

1,6-naphthyridin-5-yl trifluoromethanesulfonate

Structural Information

Molecular Formula
C9H5F3N2O3S
SMILES
C1=CC2=C(C=CN=C2OS(=O)(=O)C(F)(F)F)N=C1
InChI
InChI=1S/C9H5F3N2O3S/c10-9(11,12)18(15,16)17-8-6-2-1-4-13-7(6)3-5-14-8/h1-5H
InChIKey
JEFYTZPTJXLZSK-UHFFFAOYSA-N
Compound name
1,6-naphthyridin-5-yl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.99728 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.00456 153.4
[M+Na]+ 300.98650 164.4
[M-H]- 276.99000 151.9
[M+NH4]+ 296.03110 168.2
[M+K]+ 316.96044 160.4
[M+H-H2O]+ 260.99454 144.0
[M+HCOO]- 322.99548 164.7
[M+CH3COO]- 337.01113 192.0
[M+Na-2H]- 298.97195 161.1
[M]+ 277.99673 154.1
[M]- 277.99783 154.1
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