CID 155822703

2567498-75-1

Structural Information

Molecular Formula
C6H2BrFN2O2S2
SMILES
C1=C(C2=NSN=C2C(=C1)Br)S(=O)(=O)F
InChI
InChI=1S/C6H2BrFN2O2S2/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H
InChIKey
BLJXCKUWRQXOAB-UHFFFAOYSA-N
Compound name
4-bromo-2,1,3-benzothiadiazole-7-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.8725 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.87978 134.3
[M+Na]+ 318.86172 152.3
[M-H]- 294.86522 139.7
[M+NH4]+ 313.90632 155.6
[M+K]+ 334.83566 139.6
[M+H-H2O]+ 278.86976 135.7
[M+HCOO]- 340.87070 146.0
[M+CH3COO]- 354.88635 191.1
[M+Na-2H]- 316.84717 141.8
[M]+ 295.87195 157.8
[M]- 295.87305 157.8
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.