CID 16658293

1-chloroisoquinoline-7-sulfonyl chloride

Structural Information

Molecular Formula
C9H5Cl2NO2S
SMILES
C1=CC(=CC2=C1C=CN=C2Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H5Cl2NO2S/c10-9-8-5-7(15(11,13)14)2-1-6(8)3-4-12-9/h1-5H
InChIKey
LCCARSJRZMDFTN-UHFFFAOYSA-N
Compound name
1-chloroisoquinoline-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

260.9418 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.949076 146.8
[M+Na]+ 283.931018 159.2
[M-H]- 259.934524 150.6
[M+NH4]+ 278.975623 165.5
[M+K]+ 299.904958 153.4
[M+H-H2O]+ 243.939060 142.6
[M+HCOO]- 305.940001 154.4
[M+CH3COO]- 319.955651 188.7
[M+Na-2H]- 281.916466 153.4
[M]+ 260.94125142 152.9
[M]- 260.94234858 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