CID 9589474

Phosphorodithioic acid, s-(ethylphenyl) o,o-bis(tetrapropylenephenyl) ester

Structural Information

Molecular Formula
C32H43O2PS2
SMILES
CCCC1=CC(=C(C=C1)CCC)O[P@@](=S)(OC2=CC(=CC(=C2)CCC)CCC)SC3=CC=CC=C3CC
InChI
InChI=1S/C32H43O2PS2/c1-6-13-25-19-20-29(16-9-4)31(24-25)34-35(36,37-32-18-12-11-17-28(32)10-5)33-30-22-26(14-7-2)21-27(23-30)15-8-3/h11-12,17-24H,6-10,13-16H2,1-5H3/t35-/m1/s1
InChIKey
VZWBAFPMGWVBQP-PGUFJCEWSA-N
Compound name
(2,5-dipropylphenoxy)-(3,5-dipropylphenoxy)-(2-ethylphenyl)sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.2442 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.25148 233.1
[M+Na]+ 577.23342 236.8
[M-H]- 553.23692 239.5
[M+NH4]+ 572.27802 239.3
[M+K]+ 593.20736 228.0
[M+H-H2O]+ 537.24146 219.6
[M+HCOO]- 599.24240 247.0
[M+CH3COO]- 613.25805 253.8
[M+Na-2H]- 575.21887 225.0
[M]+ 554.24365 241.9
[M]- 554.24475 241.9
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.