CID 165672541

2408973-22-6

Structural Information

Molecular Formula
C7H2BrF5O2S
SMILES
C1=CC(=C(C(=C1C(F)(F)F)F)S(=O)(=O)F)Br
InChI
InChI=1S/C7H2BrF5O2S/c8-4-2-1-3(7(10,11)12)5(9)6(4)16(13,14)15/h1-2H
InChIKey
JHPSNBZJTYUCAT-UHFFFAOYSA-N
Compound name
6-bromo-2-fluoro-3-(trifluoromethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.8879 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.89518 148.3
[M+Na]+ 346.87712 163.6
[M-H]- 322.88062 149.7
[M+NH4]+ 341.92172 167.2
[M+K]+ 362.85106 150.5
[M+H-H2O]+ 306.88516 145.3
[M+HCOO]- 368.88610 158.8
[M+CH3COO]- 382.90175 198.5
[M+Na-2H]- 344.86257 152.3
[M]+ 323.88735 163.5
[M]- 323.88845 163.5
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.