CID 50998088

1204573-10-3

Structural Information

Molecular Formula
C6H4BrClFNO2S
SMILES
C1=C(C=C(C(=C1F)S(=O)(=O)N)Br)Cl
InChI
InChI=1S/C6H4BrClFNO2S/c7-4-1-3(8)2-5(9)6(4)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKey
GUHSTTPNPWDEJZ-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-6-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

286.88187 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.88915 137.7
[M+Na]+ 309.87109 153.0
[M-H]- 285.87459 143.6
[M+NH4]+ 304.91569 158.6
[M+K]+ 325.84503 138.6
[M+H-H2O]+ 269.87913 138.4
[M+HCOO]- 331.88007 149.9
[M+CH3COO]- 345.89572 192.8
[M+Na-2H]- 307.85654 143.1
[M]+ 286.88132 158.1
[M]- 286.88242 158.1
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