CID 417247

Barium pentafluorobenzenesulphonate

Structural Information

Molecular Formula
C6HF5O3S
SMILES
C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)F
InChI
InChI=1S/C6HF5O3S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H,12,13,14)
InChIKey
IKMBXKGUMLSBOT-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluorobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

6730
Patents

247.95665 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.963926 135.3
[M+Na]+ 270.945868 148.4
[M-H]- 246.949374 132.8
[M+NH4]+ 265.990473 153.0
[M+K]+ 286.919808 144.0
[M+H-H2O]+ 230.953910 126.5
[M+HCOO]- 292.954851 147.8
[M+CH3COO]- 306.970501 188.4
[M+Na-2H]- 268.931316 136.0
[M]+ 247.95610142 132.7
[M]- 247.95719858 132.7
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

patents stripe