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 128.6
[M+Na]+ 253.99076 140.5
[M-H]- 229.99426 128.5
[M+NH4]+ 249.03536 145.5
[M+K]+ 269.96470 132.9
[M+H-H2O]+ 213.99880 115.9
[M+HCOO]- 275.99974 141.8
[M+CH3COO]- 290.01539 196.3
[M+Na-2H]- 251.97621 133.3
[M]+ 231.00099 118.7
[M]- 231.00209 118.7
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

No patent data available for this compound.