CID 446313

126411-39-0

Structural Information

Molecular Formula
C24H42O7P2
SMILES
CCOP(=O)(C(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC
InChI
InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3
InChIKey
YQLJDECYQDRSBI-UHFFFAOYSA-N
Compound name
4-[2,2-bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

49
References

82
Patents

504.24057 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.24785 202.8
[M+Na]+ 527.22979 207.5
[M-H]- 503.23329 203.6
[M+NH4]+ 522.27439 211.5
[M+K]+ 543.20373 203.9
[M+H-H2O]+ 487.23783 184.7
[M+HCOO]- 549.23877 225.2
[M+CH3COO]- 563.25442 243.4
[M+Na-2H]- 525.21524 189.3
[M]+ 504.24002 205.4
[M]- 504.24112 205.4
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.