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]+ 531.359776 238.2
[M+Na]+ 553.341718 240.8
[M-H]- 529.345224 241.4
[M+NH4]+ 548.386323 244.4
[M+K]+ 569.315658 238.3
[M+H-H2O]+ 513.349760 228.3
[M+HCOO]- 575.350701 252.6
[M+CH3COO]- 589.366351 254.1
[M+Na-2H]- 551.327166 237.9
[M]+ 530.35195142 246.5
[M]- 530.35304858 246.5
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.