CID 165996903

6-bromo-3-chloro-2,4-difluorobenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H3BrClF2NO2S
SMILES
C1=C(C(=C(C(=C1Br)S(=O)(=O)N)F)Cl)F
InChI
InChI=1S/C6H3BrClF2NO2S/c7-2-1-3(9)4(8)5(10)6(2)14(11,12)13/h1H,(H2,11,12,13)
InChIKey
CTCGHIOCAGOFQD-UHFFFAOYSA-N
Compound name
6-bromo-3-chloro-2,4-difluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.87244 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.87972 140.2
[M+Na]+ 327.86166 156.2
[M-H]- 303.86516 145.1
[M+NH4]+ 322.90626 160.6
[M+K]+ 343.83560 141.4
[M+H-H2O]+ 287.86970 140.0
[M+HCOO]- 349.87064 151.3
[M+CH3COO]- 363.88629 196.5
[M+Na-2H]- 325.84711 144.4
[M]+ 304.87189 159.8
[M]- 304.87299 159.8
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.