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
2
Annotation Hits

0
References

237
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 168.4
[M+Na]+ 309.12262 177.6
[M+NH4]+ 304.16722 173.7
[M+K]+ 325.09656 172.4
[M-H]- 285.12612 167.2
[M+Na-2H]- 307.10807 171.3
[M]+ 286.13285 169.0
[M]- 286.13395 169.0
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