CID 17641

Potassium benzylxanthate

Structural Information

Molecular Formula
C8H8OS2
SMILES
C1=CC=C(C=C1)COC(=S)S
InChI
InChI=1S/C8H8OS2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey
WIKDURKPSJEWGB-UHFFFAOYSA-N
Compound name
phenylmethoxymethanedithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

487
Patents

184.00166 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00894 135.0
[M+Na]+ 206.99088 146.9
[M+NH4]+ 202.03548 144.9
[M+K]+ 222.96482 136.7
[M-H]- 182.99438 137.9
[M+Na-2H]- 204.97633 141.1
[M]+ 184.00111 138.5
[M]- 184.00221 138.5
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