CID 175685418

Bis(2,4-diisopropylphenyl) hydrogen phosphate

Structural Information

Molecular Formula
C24H35O4P
SMILES
CC(C)C1=CC(=C(C=C1)OP(=O)(O)OC2=C(C=C(C=C2)C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C24H35O4P/c1-15(2)19-9-11-23(21(13-19)17(5)6)27-29(25,26)28-24-12-10-20(16(3)4)14-22(24)18(7)8/h9-18H,1-8H3,(H,25,26)
InChIKey
LYHOSEFZVZRLCE-UHFFFAOYSA-N
Compound name
bis[2,4-di(propan-2-yl)phenyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2273 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.23458 204.8
[M+Na]+ 441.21652 208.7
[M-H]- 417.22002 208.7
[M+NH4]+ 436.26112 215.1
[M+K]+ 457.19046 206.8
[M+H-H2O]+ 401.22456 194.8
[M+HCOO]- 463.22550 224.6
[M+CH3COO]- 477.24115 232.3
[M+Na-2H]- 439.20197 197.1
[M]+ 418.22675 210.4
[M]- 418.22785 210.4
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.