CID 3762998

326182-61-0

Structural Information

Molecular Formula
C12H10ClFN2O2S
SMILES
C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)N)F
InChI
InChI=1S/C12H10ClFN2O2S/c13-9-6-5-8(7-11(9)15)19(17,18)16-12-4-2-1-3-10(12)14/h1-7,16H,15H2
InChIKey
KLBHHGHDAPFCRH-UHFFFAOYSA-N
Compound name
3-amino-4-chloro-N-(2-fluorophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.01355 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.02083 160.9
[M+Na]+ 323.00277 171.0
[M-H]- 299.00627 166.7
[M+NH4]+ 318.04737 176.8
[M+K]+ 338.97671 164.2
[M+H-H2O]+ 283.01081 154.0
[M+HCOO]- 345.01175 175.7
[M+CH3COO]- 359.02740 201.9
[M+Na-2H]- 320.98822 164.7
[M]+ 300.01300 162.3
[M]- 300.01410 162.3
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.