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

496
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 134.2
[M+Na]+ 206.99088 142.4
[M-H]- 182.99438 138.0
[M+NH4]+ 202.03548 154.8
[M+K]+ 222.96482 138.6
[M+H-H2O]+ 166.99892 128.7
[M+HCOO]- 228.99986 147.4
[M+CH3COO]- 243.01551 178.5
[M+Na-2H]- 204.97633 136.1
[M]+ 184.00111 136.7
[M]- 184.00221 136.7
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