CID 50989129

Methyl 8-(chlorosulfonyl)quinoline-6-carboxylate

Structural Information

Molecular Formula
C11H8ClNO4S
SMILES
COC(=O)C1=CC(=C2C(=C1)C=CC=N2)S(=O)(=O)Cl
InChI
InChI=1S/C11H8ClNO4S/c1-17-11(14)8-5-7-3-2-4-13-10(7)9(6-8)18(12,15)16/h2-6H,1H3
InChIKey
ZHMQQKGOCCKXKX-UHFFFAOYSA-N
Compound name
methyl 8-chlorosulfonylquinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.98627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.99355 155.1
[M+Na]+ 307.97549 166.1
[M-H]- 283.97899 159.3
[M+NH4]+ 303.02009 172.2
[M+K]+ 323.94943 161.9
[M+H-H2O]+ 267.98353 149.9
[M+HCOO]- 329.98447 166.8
[M+CH3COO]- 344.00012 193.6
[M+Na-2H]- 305.96094 161.0
[M]+ 284.98572 162.6
[M]- 284.98682 162.6
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.