CID 90684495

Phenol, tetrapropylene-, hydrogen phosphorodithioate

Structural Information

Molecular Formula
C36H43O2PS2
SMILES
CC1CC2=C3C(CC3=C4C(=C12)C5(C4(C)O)C(C5P(=S)(C6C(C67C8=C9C(CC9=C1C(CC1=C8C7(C)O)C)C)C)S)C)C
InChI
InChI=1S/C36H43O2PS2/c1-13-11-21-23(13)19-9-15(3)25(19)29-27(21)33(7,37)35(29)17(5)31(35)39(40,41)32-18(6)36(32)30-26-16(4)10-20(26)24-14(2)12-22(24)28(30)34(36,8)38/h13-18,31-32,37-38H,9-12H2,1-8H3,(H,40,41)
InChIKey
CJDFCOLENHVZBG-UHFFFAOYSA-N
Compound name
2-[(3'-hydroxy-3,3',7',11'-tetramethylspiro[cyclopropane-2,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-1-yl)-sulfanylphosphinothioyl]-3,3',7',11'-tetramethylspiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.2442 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.25148 209.1
[M+Na]+ 625.23342 207.4
[M+NH4]+ 620.27802 207.7
[M+K]+ 641.20736 204.9
[M-H]- 601.23692 210.0
[M+Na-2H]- 623.21887 206.3
[M]+ 602.24365 208.7
[M]- 602.24475 208.7
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.