CID 117864

Phenol, octyl-, dihydrogen phosphate

Structural Information

Molecular Formula
C14H23O4P
SMILES
CCCCCCCCC1=CC=C(C=C1)OP(=O)(O)O
InChI
InChI=1S/C14H23O4P/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18-19(15,16)17/h9-12H,2-8H2,1H3,(H2,15,16,17)
InChIKey
LCQIKBDZONOEOA-UHFFFAOYSA-N
Compound name
(4-octylphenyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

302
Patents

286.1334 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14068 171.6
[M+Na]+ 309.12262 176.7
[M-H]- 285.12612 170.6
[M+NH4]+ 304.16722 186.6
[M+K]+ 325.09656 173.7
[M+H-H2O]+ 269.13066 163.0
[M+HCOO]- 331.13160 195.9
[M+CH3COO]- 345.14725 197.1
[M+Na-2H]- 307.10807 172.4
[M]+ 286.13285 175.8
[M]- 286.13395 175.8
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