CID 110198

Einecs 270-050-8

Structural Information

Molecular Formula
C40H60P2S5
SMILES
CC1=C(CC2CC1C2(C)C)P(=S)(SC3=C(C4CC(C3)C4(C)C)C)SP(=S)(C5=C(C6CC(C5)C6(C)C)C)SC7=C(C8CC(C7)C8(C)C)C
InChI
InChI=1S/C40H60P2S5/c1-21-29-13-25(37(29,5)6)17-33(21)41(43,45-35-19-27-15-31(23(35)3)39(27,9)10)47-42(44,34-18-26-14-30(22(34)2)38(26,7)8)46-36-20-28-16-32(24(36)4)40(28,11)12/h25-32H,13-20H2,1-12H3
InChIKey
ZZMOHCWFHCHISQ-UHFFFAOYSA-N
Compound name
sulfanylidene-(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)sulfanyl]-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)sulfanyl]phosphinothioyl]sulfanyl-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

762.2774 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 763.28468 293.9
[M+Na]+ 785.26662 278.1
[M-H]- 761.27012 280.7
[M+NH4]+ 780.31122 285.9
[M+K]+ 801.24056 283.1
[M+H-H2O]+ 745.27466 271.6
[M+HCOO]- 807.27560 272.8
[M+CH3COO]- 821.29125 279.5
[M+Na-2H]- 783.25207 288.7
[M]+ 762.27685 305.0
[M]- 762.27795 305.0
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.