CID 175685907

2,4-diisopropylphenyl phenyl hydrogen phosphate

Structural Information

Molecular Formula
C18H23O4P
SMILES
CC(C)C1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2)C(C)C
InChI
InChI=1S/C18H23O4P/c1-13(2)15-10-11-18(17(12-15)14(3)4)22-23(19,20)21-16-8-6-5-7-9-16/h5-14H,1-4H3,(H,19,20)
InChIKey
SUZYMSFVTLXJSN-UHFFFAOYSA-N
Compound name
[2,4-di(propan-2-yl)phenyl] phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1334 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14068 180.8
[M+Na]+ 357.12262 186.0
[M-H]- 333.12612 184.8
[M+NH4]+ 352.16722 194.1
[M+K]+ 373.09656 183.8
[M+H-H2O]+ 317.13066 170.8
[M+HCOO]- 379.13160 204.6
[M+CH3COO]- 393.14725 210.2
[M+Na-2H]- 355.10807 179.4
[M]+ 334.13285 184.5
[M]- 334.13395 184.5
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.