CID 54235806

Ns00053533

Structural Information

Molecular Formula
C14H23O4P
SMILES
CC(C)(C)CC(C)(C)C1=CC=CC=C1OP(=O)(O)O
InChI
InChI=1S/C14H23O4P/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)18-19(15,16)17/h6-9H,10H2,1-5H3,(H2,15,16,17)
InChIKey
QMMPDOJEGIFMAL-UHFFFAOYSA-N
Compound name
[2-(2,4,4-trimethylpentan-2-yl)phenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

286.1334 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.140676 171.4
[M+Na]+ 309.122618 177.3
[M-H]- 285.126124 171.2
[M+NH4]+ 304.167223 186.6
[M+K]+ 325.096558 175.6
[M+H-H2O]+ 269.130660 164.2
[M+HCOO]- 331.131601 192.5
[M+CH3COO]- 345.147251 197.5
[M+Na-2H]- 307.108066 174.8
[M]+ 286.13285142 174.4
[M]- 286.13394858 174.4
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

patents stripe