CID 17312

Dibutyl phenyl phosphate

Structural Information

Molecular Formula
C14H23O4P
SMILES
CCCCOP(=O)(OCCCC)OC1=CC=CC=C1
InChI
InChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKey
YICSVBJRVMLQNS-UHFFFAOYSA-N
Compound name
dibutyl phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

4235
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 170.7
[M+Na]+ 309.12262 175.8
[M-H]- 285.12612 172.1
[M+NH4]+ 304.16722 186.8
[M+K]+ 325.09656 174.5
[M+H-H2O]+ 269.13066 161.3
[M+HCOO]- 331.13160 198.1
[M+CH3COO]- 345.14725 201.1
[M+Na-2H]- 307.10807 173.1
[M]+ 286.13285 178.4
[M]- 286.13395 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe