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

338
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 212.0
[M+Na]+ 513.18349 211.5
[M-H]- 489.18699 219.4
[M+NH4]+ 508.22809 218.0
[M+K]+ 529.15743 207.7
[M+H-H2O]+ 473.19153 199.4
[M+HCOO]- 535.19247 223.9
[M+CH3COO]- 549.20812 235.0
[M+Na-2H]- 511.16894 205.1
[M]+ 490.19372 208.3
[M]- 490.19482 208.3
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