CID 99939021

1373232-48-4

Structural Information

Molecular Formula
C7H3BrF4O3S
SMILES
C1=CC(=C(C=C1Br)OC(F)(F)F)S(=O)(=O)F
InChI
InChI=1S/C7H3BrF4O3S/c8-4-1-2-6(16(12,13)14)5(3-4)15-7(9,10)11/h1-3H
InChIKey
WWXPNOFROLLPOF-UHFFFAOYSA-N
Compound name
4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.89224 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.89952 148.4
[M+Na]+ 344.88146 162.8
[M-H]- 320.88496 150.7
[M+NH4]+ 339.92606 167.2
[M+K]+ 360.85540 150.5
[M+H-H2O]+ 304.88950 146.0
[M+HCOO]- 366.89044 160.2
[M+CH3COO]- 380.90609 196.6
[M+Na-2H]- 342.86691 153.8
[M]+ 321.89169 165.9
[M]- 321.89279 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.