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 238.2
[M+Na]+ 553.34172 240.8
[M-H]- 529.34522 241.4
[M+NH4]+ 548.38632 244.4
[M+K]+ 569.31566 238.3
[M+H-H2O]+ 513.34976 228.3
[M+HCOO]- 575.35070 252.6
[M+CH3COO]- 589.36635 254.1
[M+Na-2H]- 551.32717 237.9
[M]+ 530.35195 246.5
[M]- 530.35305 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.