CID 11555318

1049726-96-6

Structural Information

Molecular Formula
C26H35O5PS
SMILES
COC1=C(C(=C(C=C1)S(=O)(=O)O)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C26H35O5PS/c1-30-22-17-18-24(33(27,28)29)26(31-2)25(22)21-15-9-10-16-23(21)32(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h9-10,15-20H,3-8,11-14H2,1-2H3,(H,27,28,29)
InChIKey
DPMQLOQXDNTHDW-UHFFFAOYSA-N
Compound name
3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

336
Patents

490.19427 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.20155 210.3
[M+Na]+ 513.18349 220.3
[M+NH4]+ 508.22809 216.5
[M+K]+ 529.15743 212.6
[M-H]- 489.18699 216.1
[M+Na-2H]- 511.16894 217.1
[M]+ 490.19372 213.6
[M]- 490.19482 213.6
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