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

141
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

literature stripe

Patent stripe

patents stripe