CID 123200

Benzylphosphonic acid dibutyl ester

Structural Information

Molecular Formula
C15H25O3P
SMILES
CCCCOP(=O)(CC1=CC=CC=C1)OCCCC
InChI
InChI=1S/C15H25O3P/c1-3-5-12-17-19(16,18-13-6-4-2)14-15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3
InChIKey
ARIYRPOBFJRCEU-UHFFFAOYSA-N
Compound name
dibutoxyphosphorylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

284.15414 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16142 172.9
[M+Na]+ 307.14336 177.7
[M-H]- 283.14686 174.2
[M+NH4]+ 302.18796 189.2
[M+K]+ 323.11730 175.5
[M+H-H2O]+ 267.15140 163.6
[M+HCOO]- 329.15234 199.7
[M+CH3COO]- 343.16799 202.1
[M+Na-2H]- 305.12881 174.5
[M]+ 284.15359 179.5
[M]- 284.15469 179.5
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