CID 18071362

6-bromoquinoline-8-sulfonyl chloride

Structural Information

Molecular Formula
C9H5BrClNO2S
SMILES
C1=CC2=CC(=CC(=C2N=C1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C9H5BrClNO2S/c10-7-4-6-2-1-3-12-9(6)8(5-7)15(11,13)14/h1-5H
InChIKey
GKHOYDOQDYWDGB-UHFFFAOYSA-N
Compound name
6-bromoquinoline-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

304.8913 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.898576 142.6
[M+Na]+ 327.880518 158.3
[M-H]- 303.884024 149.7
[M+NH4]+ 322.925123 163.2
[M+K]+ 343.854458 144.9
[M+H-H2O]+ 287.888560 144.4
[M+HCOO]- 349.889501 153.8
[M+CH3COO]- 363.905151 193.8
[M+Na-2H]- 325.865966 152.0
[M]+ 304.89075142 166.4
[M]- 304.89184858 166.4
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