CID 139050396

(difluoromethyl)bis(2,5-dimethylphenyl)sulfonium tetrafluoroborate

Structural Information

Molecular Formula
C17H19F2S
SMILES
CC1=CC(=C(C=C1)C)[S+](C2=C(C=CC(=C2)C)C)C(F)F
InChI
InChI=1S/C17H19F2S/c1-11-5-7-13(3)15(9-11)20(17(18)19)16-10-12(2)6-8-14(16)4/h5-10,17H,1-4H3/q+1
InChIKey
KDNGSPXJGLKLKL-UHFFFAOYSA-N
Compound name
difluoromethyl-bis(2,5-dimethylphenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11755 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12483 163.6
[M+Na]+ 316.10677 178.5
[M+NH4]+ 311.15137 173.0
[M+K]+ 332.08071 169.6
[M-H]- 292.11027 167.9
[M+Na-2H]- 314.09222 171.5
[M]+ 293.11700 167.9
[M]- 293.11810 167.9
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.