CID 154814253

2551118-42-2

Structural Information

Molecular Formula
C8H9BrFNO2S
SMILES
CC1=CC(=C(C(=C1Br)C)S(=O)(=O)N)F
InChI
InChI=1S/C8H9BrFNO2S/c1-4-3-6(10)8(14(11,12)13)5(2)7(4)9/h3H,1-2H3,(H2,11,12,13)
InChIKey
ITCRBIBIJLZJJN-UHFFFAOYSA-N
Compound name
3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.95215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.95943 141.2
[M+Na]+ 303.94137 155.5
[M-H]- 279.94487 147.0
[M+NH4]+ 298.98597 161.6
[M+K]+ 319.91531 142.5
[M+H-H2O]+ 263.94941 140.5
[M+HCOO]- 325.95035 156.9
[M+CH3COO]- 339.96600 196.1
[M+Na-2H]- 301.92682 145.2
[M]+ 280.95160 160.7
[M]- 280.95270 160.7
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.