CID 131542348

8-bromo-4-chloroquinoline-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H4BrCl2NO2S
SMILES
C1=CC2=C(C(=CN=C2C(=C1)Br)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C9H4BrCl2NO2S/c10-6-3-1-2-5-8(11)7(16(12,14)15)4-13-9(5)6/h1-4H
InChIKey
VHTPDVSEZSOONR-UHFFFAOYSA-N
Compound name
8-bromo-4-chloroquinoline-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

338.85233 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.85961 146.4
[M+Na]+ 361.84155 163.1
[M-H]- 337.84505 153.3
[M+NH4]+ 356.88615 166.4
[M+K]+ 377.81549 148.9
[M+H-H2O]+ 321.84959 149.0
[M+HCOO]- 383.85053 152.7
[M+CH3COO]- 397.86618 199.1
[M+Na-2H]- 359.82700 154.6
[M]+ 338.85178 171.1
[M]- 338.85288 171.1
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