CID 512644

122533-49-7

Structural Information

Molecular Formula
C22H37O2S
SMILES
CCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[S+](C)C
InChI
InChI=1S/C22H37O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(23)24-20-16-18-21(19-17-20)25(2)3/h16-19H,4-15H2,1-3H3/q+1
InChIKey
UOGKLPBEDBGXRI-UHFFFAOYSA-N
Compound name
dimethyl-(4-tetradecanoyloxyphenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.25143 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.25871 195.8
[M+Na]+ 388.24065 198.1
[M-H]- 364.24415 197.8
[M+NH4]+ 383.28525 208.7
[M+K]+ 404.21459 188.0
[M+H-H2O]+ 348.24869 190.4
[M+HCOO]- 410.24963 209.0
[M+CH3COO]- 424.26528 212.3
[M+Na-2H]- 386.22610 193.3
[M]+ 365.25088 202.2
[M]- 365.25198 202.2
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