CID 53836106

5-bromo-2-(trifluoromethoxy)benzene-1-sulfonamide

Structural Information

Molecular Formula
C7H5BrF3NO3S
SMILES
C1=CC(=C(C=C1Br)S(=O)(=O)N)OC(F)(F)F
InChI
InChI=1S/C7H5BrF3NO3S/c8-4-1-2-5(15-7(9,10)11)6(3-4)16(12,13)14/h1-3H,(H2,12,13,14)
InChIKey
GFTPCJDKZGDZRX-UHFFFAOYSA-N
Compound name
5-bromo-2-(trifluoromethoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

318.91257 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.91985 149.2
[M+Na]+ 341.90179 162.4
[M-H]- 317.90529 151.9
[M+NH4]+ 336.94639 167.4
[M+K]+ 357.87573 149.7
[M+H-H2O]+ 301.90983 146.7
[M+HCOO]- 363.91077 162.0
[M+CH3COO]- 377.92642 197.9
[M+Na-2H]- 339.88724 154.6
[M]+ 318.91202 166.0
[M]- 318.91312 166.0
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