CID 21199342

Bis(2,4-ditert-butylphenyl) hydrogen phosphate

Structural Information

Molecular Formula
C28H43O4P
SMILES
CC(C)(C)C1=CC(=C(C=C1)OP(=O)(O)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C28H43O4P/c1-25(2,3)19-13-15-23(21(17-19)27(7,8)9)31-33(29,30)32-24-16-14-20(26(4,5)6)18-22(24)28(10,11)12/h13-18H,1-12H3,(H,29,30)
InChIKey
GUDSEWUOWPVZPC-UHFFFAOYSA-N
Compound name
bis(2,4-ditert-butylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

738
Patents

474.2899 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.29718 220.6
[M+Na]+ 497.27912 225.3
[M-H]- 473.28262 224.8
[M+NH4]+ 492.32372 229.5
[M+K]+ 513.25306 223.5
[M+H-H2O]+ 457.28716 211.6
[M+HCOO]- 519.28810 236.5
[M+CH3COO]- 533.30375 240.1
[M+Na-2H]- 495.26457 222.1
[M]+ 474.28935 227.2
[M]- 474.29045 227.2
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.