CID 167739612

3-bromo-2-fluoro-6-(trifluoromethoxy)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H2BrF5O3S
SMILES
C1=CC(=C(C(=C1OC(F)(F)F)S(=O)(=O)F)F)Br
InChI
InChI=1S/C7H2BrF5O3S/c8-3-1-2-4(16-7(10,11)12)6(5(3)9)17(13,14)15/h1-2H
InChIKey
KOMILIQGFHWHJS-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-6-(trifluoromethoxy)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.8828 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.89008 151.4
[M+Na]+ 362.87202 166.4
[M-H]- 338.87552 152.6
[M+NH4]+ 357.91662 169.5
[M+K]+ 378.84596 153.8
[M+H-H2O]+ 322.88006 148.1
[M+HCOO]- 384.88100 162.0
[M+CH3COO]- 398.89665 200.4
[M+Na-2H]- 360.85747 155.5
[M]+ 339.88225 167.9
[M]- 339.88335 167.9
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.