CID 3052188

S-(diphenylmethyl) o-octyl methylphosphonodithioate

Structural Information

Molecular Formula
C22H31OPS2
SMILES
CCCCCCCCOP(=S)(C)SC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H31OPS2/c1-3-4-5-6-7-14-19-23-24(2,25)26-22(20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18,22H,3-7,14,19H2,1-2H3
InChIKey
OURCHRXGNRZTHU-UHFFFAOYSA-N
Compound name
benzhydrylsulfanyl-methyl-octoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1554 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16268 194.8
[M+Na]+ 429.14462 197.9
[M-H]- 405.14812 198.2
[M+NH4]+ 424.18922 206.5
[M+K]+ 445.11856 190.8
[M+H-H2O]+ 389.15266 183.6
[M+HCOO]- 451.15360 209.6
[M+CH3COO]- 465.16925 222.8
[M+Na-2H]- 427.13007 190.3
[M]+ 406.15485 199.7
[M]- 406.15595 199.7
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

No patent data available for this compound.