CID 70559

Dibutoxyphosphorylbenzene

Structural Information

Molecular Formula
C14H23O3P
SMILES
CCCCOP(=O)(C1=CC=CC=C1)OCCCC
InChI
InChI=1S/C14H23O3P/c1-3-5-12-16-18(15,17-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKey
YBBHHAFADNTQHQ-UHFFFAOYSA-N
Compound name
dibutoxyphosphorylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

100
Patents

270.1385 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14578 164.7
[M+Na]+ 293.12772 175.1
[M+NH4]+ 288.17232 171.3
[M+K]+ 309.10166 168.6
[M-H]- 269.13122 165.0
[M+Na-2H]- 291.11317 169.6
[M]+ 270.13795 166.1
[M]- 270.13905 166.1
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