CID 24796343

1009088-40-7

Structural Information

Molecular Formula
C17H20FS
SMILES
CC1=CC(=C(C(=C1C)C)C)[S+](CF)C2=CC=CC=C2
InChI
InChI=1S/C17H20FS/c1-12-10-17(15(4)14(3)13(12)2)19(11-18)16-8-6-5-7-9-16/h5-10H,11H2,1-4H3/q+1
InChIKey
DWHKSVIBOKNYOK-UHFFFAOYSA-N
Compound name
fluoromethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

275.12698 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 160.8
[M+Na]+ 298.11620 169.5
[M-H]- 274.11970 167.1
[M+NH4]+ 293.16080 178.0
[M+K]+ 314.09014 158.8
[M+H-H2O]+ 258.12424 155.7
[M+HCOO]- 320.12518 176.6
[M+CH3COO]- 334.14083 196.3
[M+Na-2H]- 296.10165 161.9
[M]+ 275.12643 161.6
[M]- 275.12753 161.6
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

patents stripe