CID 89875837

Sodium 5-bromo-2-fluorobenzene-1-sulfinate

Structural Information

Molecular Formula
C6H4BrFO2S
SMILES
C1=CC(=C(C=C1Br)S(=O)O)F
InChI
InChI=1S/C6H4BrFO2S/c7-4-1-2-5(8)6(3-4)11(9)10/h1-3H,(H,9,10)
InChIKey
MPUXOLHETYZAMT-UHFFFAOYSA-N
Compound name
5-bromo-2-fluorobenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.90994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.91722 129.1
[M+Na]+ 260.89916 142.4
[M-H]- 236.90266 133.9
[M+NH4]+ 255.94376 150.6
[M+K]+ 276.87310 130.5
[M+H-H2O]+ 220.90720 129.3
[M+HCOO]- 282.90814 144.3
[M+CH3COO]- 296.92379 183.1
[M+Na-2H]- 258.88461 133.9
[M]+ 237.90939 148.0
[M]- 237.91049 148.0
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.