CID 3052189

S-(diphenylmethyl) o-ethyl methylphosphonodithioate

Structural Information

Molecular Formula
C16H19OPS2
SMILES
CCOP(=S)(C)SC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H19OPS2/c1-3-17-18(2,19)20-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3
InChIKey
GKDLBOJOLBWMTL-UHFFFAOYSA-N
Compound name
benzhydrylsulfanyl-ethoxy-methyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0615 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06878 169.0
[M+Na]+ 345.05072 174.8
[M-H]- 321.05422 173.7
[M+NH4]+ 340.09532 184.1
[M+K]+ 361.02466 169.0
[M+H-H2O]+ 305.05876 159.0
[M+HCOO]- 367.05970 185.8
[M+CH3COO]- 381.07535 205.5
[M+Na-2H]- 343.03617 167.2
[M]+ 322.06095 171.9
[M]- 322.06205 171.9
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

No patent data available for this compound.