CID 461361

8-tosyloxyquinoline

Structural Information

Molecular Formula
C16H13NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C16H13NO3S/c1-12-7-9-14(10-8-12)21(18,19)20-15-6-2-4-13-5-3-11-17-16(13)15/h2-11H,1H3
InChIKey
WJVMBQQDRQGWNF-UHFFFAOYSA-N
Compound name
quinolin-8-yl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

25
Patents

299.0616 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06888 166.1
[M+Na]+ 322.05082 176.0
[M-H]- 298.05432 172.9
[M+NH4]+ 317.09542 181.4
[M+K]+ 338.02476 171.0
[M+H-H2O]+ 282.05886 158.1
[M+HCOO]- 344.05980 182.8
[M+CH3COO]- 358.07545 199.4
[M+Na-2H]- 320.03627 173.1
[M]+ 299.06105 170.5
[M]- 299.06215 170.5
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