CID 50998053

1208076-93-0

Structural Information

Molecular Formula
C7H5BrClFO2S
SMILES
CC1=CC(=C(C(=C1)Br)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H5BrClFO2S/c1-4-2-5(8)7(6(10)3-4)13(9,11)12/h2-3H,1H3
InChIKey
CFAWUDAEEAXVFI-UHFFFAOYSA-N
Compound name
2-bromo-6-fluoro-4-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.88663 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.89391 140.0
[M+Na]+ 308.87585 143.9
[M+NH4]+ 303.92045 144.6
[M+K]+ 324.84979 142.8
[M-H]- 284.87935 138.8
[M+Na-2H]- 306.86130 143.0
[M]+ 285.88608 139.7
[M]- 285.88718 139.7
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.