CID 12405878

4-chloroquinoline-8-sulfonyl chloride

Structural Information

Molecular Formula
C9H5Cl2NO2S
SMILES
C1=CC2=C(C=CN=C2C(=C1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C9H5Cl2NO2S/c10-7-4-5-12-9-6(7)2-1-3-8(9)15(11,13)14/h1-5H
InChIKey
FAHXJDSBGZMRHC-UHFFFAOYSA-N
Compound name
4-chloroquinoline-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

260.9418 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.94908 146.8
[M+Na]+ 283.93102 159.2
[M-H]- 259.93452 150.6
[M+NH4]+ 278.97562 165.5
[M+K]+ 299.90496 153.4
[M+H-H2O]+ 243.93906 142.6
[M+HCOO]- 305.94000 154.4
[M+CH3COO]- 319.95565 188.7
[M+Na-2H]- 281.91647 153.4
[M]+ 260.94125 152.9
[M]- 260.94235 152.9
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