CID 16228941

1,3-dichloroisoquinoline-7-sulfonyl chloride

Structural Information

Molecular Formula
C9H4Cl3NO2S
SMILES
C1=CC(=CC2=C(N=C(C=C21)Cl)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H4Cl3NO2S/c10-8-3-5-1-2-6(16(12,14)15)4-7(5)9(11)13-8/h1-4H
InChIKey
ITORBCGERYBPLT-UHFFFAOYSA-N
Compound name
1,3-dichloroisoquinoline-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.90283 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.91011 160.5
[M+Na]+ 317.89205 176.6
[M+NH4]+ 312.93665 169.4
[M+K]+ 333.86599 166.5
[M-H]- 293.89555 161.9
[M+Na-2H]- 315.87750 166.9
[M]+ 294.90228 164.7
[M]- 294.90338 164.7
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.