CID 135397171

Dimesityl(trifluoromethyl)sulfonium trifluoromethanesulfonate

Structural Information

Molecular Formula
C19H22F3S
SMILES
CC1=CC(=C(C(=C1)C)[S+](C2=C(C=C(C=C2C)C)C)C(F)(F)F)C
InChI
InChI=1S/C19H22F3S/c1-11-7-13(3)17(14(4)8-11)23(19(20,21)22)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3/q+1
InChIKey
WJJTWCDSTNQGES-UHFFFAOYSA-N
Compound name
trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.13943 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14671 173.0
[M+Na]+ 362.12865 183.0
[M-H]- 338.13215 177.2
[M+NH4]+ 357.17325 188.2
[M+K]+ 378.10259 171.6
[M+H-H2O]+ 322.13669 166.4
[M+HCOO]- 384.13763 184.4
[M+CH3COO]- 398.15328 209.7
[M+Na-2H]- 360.11410 171.9
[M]+ 339.13888 172.5
[M]- 339.13998 172.5
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.