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

66
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

literature stripe

Patent stripe

patents stripe