CID 121669

Phenol, dodecyl-, 1,1'-(hydrogen phosphorodithioate)

Structural Information

Molecular Formula
C36H59O2PS2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)CCCCCCCCCCCC)S
InChI
InChI=1S/C36H59O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-33-25-29-35(30-26-33)37-39(40,41)38-36-31-27-34(28-32-36)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3,(H,40,41)
InChIKey
KIHVMOUITFPOEI-UHFFFAOYSA-N
Compound name
bis(4-dodecylphenoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

618.3694 Da
Monoisotopic Mass

17.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.37668 254.7
[M+Na]+ 641.35862 252.9
[M-H]- 617.36212 255.5
[M+NH4]+ 636.40322 258.0
[M+K]+ 657.33256 243.0
[M+H-H2O]+ 601.36666 240.5
[M+HCOO]- 663.36760 266.0
[M+CH3COO]- 677.38325 265.6
[M+Na-2H]- 639.34407 244.4
[M]+ 618.36885 266.5
[M]- 618.36995 266.5
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