CID 14931934

5-chloro-8-quinolinetrifluoromethanesulfonate

Structural Information

Molecular Formula
C10H5ClF3NO3S
SMILES
C1=CC2=C(C=CC(=C2N=C1)OS(=O)(=O)C(F)(F)F)Cl
InChI
InChI=1S/C10H5ClF3NO3S/c11-7-3-4-8(9-6(7)2-1-5-15-9)18-19(16,17)10(12,13)14/h1-5H
InChIKey
ICTAEAXUAWQHSL-UHFFFAOYSA-N
Compound name
(5-chloroquinolin-8-yl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

310.96307 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.97035 156.8
[M+Na]+ 333.95229 168.9
[M-H]- 309.95579 157.1
[M+NH4]+ 328.99689 172.9
[M+K]+ 349.92623 163.5
[M+H-H2O]+ 293.96033 149.1
[M+HCOO]- 355.96127 164.7
[M+CH3COO]- 369.97692 197.1
[M+Na-2H]- 331.93774 163.3
[M]+ 310.96252 160.0
[M]- 310.96362 160.0
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