CID 165985733

2,4-dichloroquinoline-8-sulfonyl chloride

Structural Information

Molecular Formula
C9H4Cl3NO2S
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)Cl)N=C(C=C2Cl)Cl
InChI
InChI=1S/C9H4Cl3NO2S/c10-6-4-8(11)13-9-5(6)2-1-3-7(9)16(12,14)15/h1-4H
InChIKey
OXBVCEFAAAGSDD-UHFFFAOYSA-N
Compound name
2,4-dichloroquinoline-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.90283 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.91011 152.3
[M+Na]+ 317.89205 165.1
[M-H]- 293.89555 155.3
[M+NH4]+ 312.93665 169.8
[M+K]+ 333.86599 158.9
[M+H-H2O]+ 277.90009 148.9
[M+HCOO]- 339.90103 154.5
[M+CH3COO]- 353.91668 195.2
[M+Na-2H]- 315.87750 157.1
[M]+ 294.90228 158.6
[M]- 294.90338 158.6
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.