CID 50998060

1208075-38-0

Structural Information

Molecular Formula
C6H2Br2ClFO2S
SMILES
C1=C(C(=CC(=C1Br)Br)S(=O)(=O)Cl)F
InChI
InChI=1S/C6H2Br2ClFO2S/c7-3-1-5(10)6(2-4(3)8)13(9,11)12/h1-2H
InChIKey
WPXKWXHOJVDDIZ-UHFFFAOYSA-N
Compound name
4,5-dibromo-2-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.7815 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.78878 132.4
[M+Na]+ 372.77072 147.5
[M-H]- 348.77422 139.7
[M+NH4]+ 367.81532 152.0
[M+K]+ 388.74466 129.6
[M+H-H2O]+ 332.77876 141.6
[M+HCOO]- 394.77970 141.0
[M+CH3COO]- 408.79535 205.5
[M+Na-2H]- 370.75617 139.2
[M]+ 349.78095 169.2
[M]- 349.78205 169.2
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.