CID 3008296

5-isoquinolinesulfonamide, n-(3-chloro-4-fluorophenyl)-

Structural Information

Molecular Formula
C15H10ClFN2O2S
SMILES
C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NC3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C15H10ClFN2O2S/c16-13-8-11(4-5-14(13)17)19-22(20,21)15-3-1-2-10-9-18-7-6-12(10)15/h1-9,19H
InChIKey
NYBUVEXQIRWDFL-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)isoquinoline-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.01355 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02083 169.9
[M+Na]+ 359.00277 181.1
[M-H]- 335.00627 175.6
[M+NH4]+ 354.04737 184.5
[M+K]+ 374.97671 173.7
[M+H-H2O]+ 319.01081 161.9
[M+HCOO]- 381.01175 182.0
[M+CH3COO]- 395.02740 181.4
[M+Na-2H]- 356.98822 176.3
[M]+ 336.01300 173.6
[M]- 336.01410 173.6
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.