CID 166595170

2,8-bis(trifluoromethoxy)-5-(trifluoromethyl)-5h-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate

Structural Information

Molecular Formula
C15H6F9O2S
SMILES
C1=CC2=C(C=C1OC(F)(F)F)C3=C([S+]2C(F)(F)F)C=CC(=C3)OC(F)(F)F
InChI
InChI=1S/C15H6F9O2S/c16-13(17,18)25-7-1-3-11-9(5-7)10-6-8(26-14(19,20)21)2-4-12(10)27(11)15(22,23)24/h1-6H/q+1
InChIKey
GGUCVSUCMRXQKU-UHFFFAOYSA-N
Compound name
2,8-bis(trifluoromethoxy)-5-(trifluoromethyl)dibenzothiophen-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.99448 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.00176 179.4
[M+Na]+ 443.98370 182.6
[M+NH4]+ 439.02830 180.4
[M+K]+ 459.95764 180.0
[M-H]- 419.98720 173.7
[M+Na-2H]- 441.96915 178.9
[M]+ 420.99393 178.3
[M]- 420.99503 178.3
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.