CID 165880448

2839138-66-6

Structural Information

Molecular Formula
C7H3BrClFO4S
SMILES
C1=C(C=C(C=C1S(=O)(=O)F)Br)OC(=O)Cl
InChI
InChI=1S/C7H3BrClFO4S/c8-4-1-5(14-7(9)11)3-6(2-4)15(10,12)13/h1-3H
InChIKey
RMVOROLBRQRFMF-UHFFFAOYSA-N
Compound name
(3-bromo-5-fluorosulfonylphenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.8608 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.868076 141.3
[M+Na]+ 338.850018 156.1
[M-H]- 314.853524 147.7
[M+NH4]+ 333.894623 161.4
[M+K]+ 354.823958 143.3
[M+H-H2O]+ 298.858060 142.4
[M+HCOO]- 360.859001 152.8
[M+CH3COO]- 374.874651 193.8
[M+Na-2H]- 336.835466 147.1
[M]+ 315.86025142 165.0
[M]- 315.86134858 165.0
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.