CID 102367695

4-(pentafluorosulfanyl)phenyldiazonium tetrafluoroborate

Structural Information

Molecular Formula
C6H4F5N2S
SMILES
C1=CC(=CC=C1[N+]#N)S(F)(F)(F)(F)F
InChI
InChI=1S/C6H4F5N2S/c7-14(8,9,10,11)6-3-1-5(13-12)2-4-6/h1-4H/q+1
InChIKey
GEMDIHQWQGSKDZ-UHFFFAOYSA-N
Compound name
4-(pentafluoro-lambda6-sulfanyl)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.00154 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00882 135.6
[M+Na]+ 253.99076 145.0
[M+NH4]+ 249.03536 138.6
[M+K]+ 269.96470 136.6
[M-H]- 229.99426 127.3
[M+Na-2H]- 251.97621 138.5
[M]+ 231.00099 134.3
[M]- 231.00209 134.3
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.