CID 3614658

8-methoxyquinoline-5-sulfonyl chloride

Structural Information

Molecular Formula
C10H8ClNO3S
SMILES
COC1=C2C(=C(C=C1)S(=O)(=O)Cl)C=CC=N2
InChI
InChI=1S/C10H8ClNO3S/c1-15-8-4-5-9(16(11,13)14)7-3-2-6-12-10(7)8/h2-6H,1H3
InChIKey
CDUVKSFUNYBONL-UHFFFAOYSA-N
Compound name
8-methoxyquinoline-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

256.99133 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99861 149.0
[M+Na]+ 279.98055 160.8
[M-H]- 255.98405 153.3
[M+NH4]+ 275.02515 167.5
[M+K]+ 295.95449 156.2
[M+H-H2O]+ 239.98859 143.9
[M+HCOO]- 301.98953 161.6
[M+CH3COO]- 316.00518 189.2
[M+Na-2H]- 277.96600 156.1
[M]+ 256.99078 156.0
[M]- 256.99188 156.0
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