CID 116232

Dimethyl(2-phenoxyethyl)sulfonium nitrate

Structural Information

Molecular Formula
C10H15OS
SMILES
C[S+](C)CCOC1=CC=CC=C1
InChI
InChI=1S/C10H15OS/c1-12(2)9-8-11-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/q+1
InChIKey
VEHIKDSILUQLKT-UHFFFAOYSA-N
Compound name
dimethyl(2-phenoxyethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

183.08437 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09165 138.6
[M+Na]+ 206.07359 145.4
[M-H]- 182.07709 142.6
[M+NH4]+ 201.11819 158.9
[M+K]+ 222.04753 138.0
[M+H-H2O]+ 166.08163 135.6
[M+HCOO]- 228.08257 156.6
[M+CH3COO]- 242.09822 174.7
[M+Na-2H]- 204.05904 143.9
[M]+ 183.08382 140.4
[M]- 183.08492 140.4
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