CID 81530527

1517141-59-1

Structural Information

Molecular Formula
C7H5BrClFO3S
SMILES
COC1=CC(=C(C=C1Br)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H5BrClFO3S/c1-13-6-3-5(10)7(2-4(6)8)14(9,11)12/h2-3H,1H3
InChIKey
PDCXFUMMGUDRHJ-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-4-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 139.4
[M+Na]+ 324.87075 155.1
[M-H]- 300.87425 146.0
[M+NH4]+ 319.91535 160.5
[M+K]+ 340.84469 142.0
[M+H-H2O]+ 284.87879 140.6
[M+HCOO]- 346.87973 151.4
[M+CH3COO]- 360.89538 193.6
[M+Na-2H]- 322.85620 145.3
[M]+ 301.88098 163.3
[M]- 301.88208 163.3
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.