CID 15290358

6-quinolinyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C10H6F3NO3S
SMILES
C1=CC2=C(C=CC(=C2)OS(=O)(=O)C(F)(F)F)N=C1
InChI
InChI=1S/C10H6F3NO3S/c11-10(12,13)18(15,16)17-8-3-4-9-7(6-8)2-1-5-14-9/h1-6H
InChIKey
TVYXNKUMLWUQPV-UHFFFAOYSA-N
Compound name
quinolin-6-yl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

277.00204 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.00932 153.0
[M+Na]+ 299.99126 163.6
[M-H]- 275.99476 152.8
[M+NH4]+ 295.03586 169.3
[M+K]+ 315.96520 159.7
[M+H-H2O]+ 259.99930 144.2
[M+HCOO]- 322.00024 165.4
[M+CH3COO]- 336.01589 192.2
[M+Na-2H]- 297.97671 160.3
[M]+ 277.00149 153.6
[M]- 277.00259 153.6
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

No patent data available for this compound.