CID 111985

Phenol, bis(1,1-dimethylpropyl)-, hydrogen phosphate

Structural Information

Molecular Formula
C32H51O4P
SMILES
CCC(C)(C)C1=C(C(=CC=C1)C(C)(C)CC)OP(=O)(O)OC2=C(C=CC=C2C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C32H51O4P/c1-13-29(5,6)23-19-17-20-24(30(7,8)14-2)27(23)35-37(33,34)36-28-25(31(9,10)15-3)21-18-22-26(28)32(11,12)16-4/h17-22H,13-16H2,1-12H3,(H,33,34)
InChIKey
HMANXAFMVMRXLN-UHFFFAOYSA-N
Compound name
bis[2,6-bis(2-methylbutan-2-yl)phenyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.3525 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.35978 234.7
[M+Na]+ 553.34172 243.0
[M+NH4]+ 548.38632 237.6
[M+K]+ 569.31566 251.9
[M-H]- 529.34522 234.2
[M+Na-2H]- 551.32717 237.8
[M]+ 530.35195 236.0
[M]- 530.35305 236.0
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.