CID 13866

(p-hydroxyphenyl)dimethylsulfonium chloride

Structural Information

Molecular Formula
C8H11OS
SMILES
C[S+](C)C1=CC=C(C=C1)O
InChI
InChI=1S/C8H10OS/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3/p+1
InChIKey
QAEDNLDMOUKNMI-UHFFFAOYSA-O
Compound name
(4-hydroxyphenyl)-dimethylsulfanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1875
Patents

155.05305 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06033 128.5
[M+Na]+ 178.04227 136.6
[M-H]- 154.04577 131.8
[M+NH4]+ 173.08687 149.5
[M+K]+ 194.01621 128.7
[M+H-H2O]+ 138.05031 126.4
[M+HCOO]- 200.05125 145.6
[M+CH3COO]- 214.06690 166.9
[M+Na-2H]- 176.02772 133.8
[M]+ 155.05250 128.1
[M]- 155.05360 128.1
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