CID 84082966

5-bromo-4-fluoro-2-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H5BrClFO3S
SMILES
COC1=CC(=C(C=C1S(=O)(=O)Cl)Br)F
InChI
InChI=1S/C7H5BrClFO3S/c1-13-6-3-5(10)4(8)2-7(6)14(9,11)12/h2-3H,1H3
InChIKey
QBLXNFVISLUNDW-UHFFFAOYSA-N
Compound name
5-bromo-4-fluoro-2-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.88153 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.88881 143.1
[M+Na]+ 324.87075 146.6
[M+NH4]+ 319.91535 147.2
[M+K]+ 340.84469 145.9
[M-H]- 300.87425 141.5
[M+Na-2H]- 322.85620 145.7
[M]+ 301.88098 142.6
[M]- 301.88208 142.6
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