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 163.0
[M+Na]+ 316.10677 171.4
[M-H]- 292.11027 168.0
[M+NH4]+ 311.15137 179.3
[M+K]+ 332.08071 160.8
[M+H-H2O]+ 276.11481 157.0
[M+HCOO]- 338.11575 176.7
[M+CH3COO]- 352.13140 199.8
[M+Na-2H]- 314.09222 162.5
[M]+ 293.11700 162.2
[M]- 293.11810 162.2
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.