CID 129564

Diphenylphosphinodithioic acid

Structural Information

Molecular Formula
C12H11PS2
SMILES
C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)S
InChI
InChI=1S/C12H11PS2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKey
CLUOCCWZZAGLPM-UHFFFAOYSA-N
Compound name
diphenyl-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

221
Patents

250.00398 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01126 147.0
[M+Na]+ 272.99320 161.0
[M+NH4]+ 268.03780 157.6
[M+K]+ 288.96714 149.5
[M-H]- 248.99670 152.3
[M+Na-2H]- 270.97865 156.7
[M]+ 250.00343 151.7
[M]- 250.00453 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe