CID 165993464

1-chloroisoquinoline-4-sulfonamide

Structural Information

Molecular Formula
C9H7ClN2O2S
SMILES
C1=CC=C2C(=C1)C(=CN=C2Cl)S(=O)(=O)N
InChI
InChI=1S/C9H7ClN2O2S/c10-9-7-4-2-1-3-6(7)8(5-12-9)15(11,13)14/h1-5H,(H2,11,13,14)
InChIKey
FWENYNXCFWUYHP-UHFFFAOYSA-N
Compound name
1-chloroisoquinoline-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99167 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.99895 147.5
[M+Na]+ 264.98089 161.4
[M+NH4]+ 260.02549 156.1
[M+K]+ 280.95483 153.1
[M-H]- 240.98439 149.5
[M+Na-2H]- 262.96634 154.2
[M]+ 241.99112 150.8
[M]- 241.99222 150.8
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.