CID 165993465

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

Structural Information

Molecular Formula
C7H2BrClF4O3S
SMILES
C1=CC(=C(C(=C1OC(F)(F)F)S(=O)(=O)Cl)F)Br
InChI
InChI=1S/C7H2BrClF4O3S/c8-3-1-2-4(16-7(11,12)13)6(5(3)10)17(9,14)15/h1-2H
InChIKey
UUJDACFGPRMOPD-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-6-(trifluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.85327 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.86055 150.5
[M+Na]+ 378.84249 166.5
[M-H]- 354.84599 153.4
[M+NH4]+ 373.88709 169.3
[M+K]+ 394.81643 152.6
[M+H-H2O]+ 338.85053 149.2
[M+HCOO]- 400.85147 158.1
[M+CH3COO]- 414.86712 201.2
[M+Na-2H]- 376.82794 155.4
[M]+ 355.85272 170.3
[M]- 355.85382 170.3
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.