CID 44515753

2,3,4,5,6-pentafluorophenyl 1-bromoethene-1-sulfonate

Structural Information

Molecular Formula
C8H2BrF5O3S
SMILES
C=C(S(=O)(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)Br
InChI
InChI=1S/C8H2BrF5O3S/c1-2(9)18(15,16)17-8-6(13)4(11)3(10)5(12)7(8)14/h1H2
InChIKey
PLQAIYAFGNMORF-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl) 1-bromoethenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.8828 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.89008 151.0
[M+Na]+ 374.87202 166.6
[M-H]- 350.87552 152.4
[M+NH4]+ 369.91662 168.8
[M+K]+ 390.84596 153.3
[M+H-H2O]+ 334.88006 147.4
[M+HCOO]- 396.88100 161.8
[M+CH3COO]- 410.89665 205.6
[M+Na-2H]- 372.85747 151.7
[M]+ 351.88225 167.9
[M]- 351.88335 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.