CID 59434406

(4-hydroxyphenyl)methyl(2-methylbenzyl)sulfonium hexafluoroantimonate

Structural Information

Molecular Formula
C15H17OS
SMILES
CC1=CC=CC=C1C[S+](C)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H16OS/c1-12-5-3-4-6-13(12)11-17(2)15-9-7-14(16)8-10-15/h3-10H,11H2,1-2H3/p+1
InChIKey
IJTZFJPYYHBTLQ-UHFFFAOYSA-O
Compound name
(4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

245.1 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10728 154.8
[M+Na]+ 268.08922 162.2
[M-H]- 244.09272 160.9
[M+NH4]+ 263.13382 172.0
[M+K]+ 284.06316 151.9
[M+H-H2O]+ 228.09726 150.9
[M+HCOO]- 290.09820 171.2
[M+CH3COO]- 304.11385 184.7
[M+Na-2H]- 266.07467 158.5
[M]+ 245.09945 154.9
[M]- 245.10055 154.9
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

patents stripe