CID 165868757

3,5-dibromo-4-hydroxybenzene-1-sulfonylfluoride

Structural Information

Molecular Formula
C6H3Br2FO3S
SMILES
C1=C(C=C(C(=C1Br)O)Br)S(=O)(=O)F
InChI
InChI=1S/C6H3Br2FO3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H
InChIKey
VMAXGFQTVQLSGW-UHFFFAOYSA-N
Compound name
3,5-dibromo-4-hydroxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.81537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.82265 131.0
[M+Na]+ 354.80459 144.3
[M-H]- 330.80809 136.7
[M+NH4]+ 349.84919 149.4
[M+K]+ 370.77853 127.6
[M+H-H2O]+ 314.81263 139.1
[M+HCOO]- 376.81357 142.0
[M+CH3COO]- 390.82922 202.3
[M+Na-2H]- 352.79004 137.5
[M]+ 331.81482 165.9
[M]- 331.81592 165.9
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.