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]+ 316.86808 141.3
[M+Na]+ 338.85002 156.1
[M-H]- 314.85352 147.7
[M+NH4]+ 333.89462 161.4
[M+K]+ 354.82396 143.3
[M+H-H2O]+ 298.85806 142.4
[M+HCOO]- 360.85900 152.8
[M+CH3COO]- 374.87465 193.8
[M+Na-2H]- 336.83547 147.1
[M]+ 315.86025 165.0
[M]- 315.86135 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.