CID 166595170

2833773-70-7

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 183.3
[M+Na]+ 443.98370 196.4
[M-H]- 419.98720 179.1
[M+NH4]+ 439.02830 198.0
[M+K]+ 459.95764 184.9
[M+H-H2O]+ 403.99174 173.6
[M+HCOO]- 465.99268 188.5
[M+CH3COO]- 480.00833 214.2
[M+Na-2H]- 441.96915 188.3
[M]+ 420.99393 178.2
[M]- 420.99503 178.2
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.