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

literature stripe

Patent stripe

patents stripe