CID 50990517

8-(chlorosulfonyl)quinoline-6-carboxylic acid

Structural Information

Molecular Formula
C10H6ClNO4S
SMILES
C1=CC2=CC(=CC(=C2N=C1)S(=O)(=O)Cl)C(=O)O
InChI
InChI=1S/C10H6ClNO4S/c11-17(15,16)8-5-7(10(13)14)4-6-2-1-3-12-9(6)8/h1-5H,(H,13,14)
InChIKey
VTWHRNQHOANPEO-UHFFFAOYSA-N
Compound name
8-chlorosulfonylquinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.9706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.97788 150.4
[M+Na]+ 293.95982 161.3
[M-H]- 269.96332 153.3
[M+NH4]+ 289.00442 167.3
[M+K]+ 309.93376 156.5
[M+H-H2O]+ 253.96786 145.7
[M+HCOO]- 315.96880 160.9
[M+CH3COO]- 329.98445 188.9
[M+Na-2H]- 291.94527 156.4
[M]+ 270.97005 155.8
[M]- 270.97115 155.8
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.