CID 14411016

63075-66-1

Structural Information

Molecular Formula
C8H18BrO3P
SMILES
CCOP(=O)(CCCCBr)OCC
InChI
InChI=1S/C8H18BrO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9/h3-8H2,1-2H3
InChIKey
LJSFAWDWYVZQBG-UHFFFAOYSA-N
Compound name
1-bromo-4-diethoxyphosphorylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

272.0177 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.024976 165.6
[M+Na]+ 295.006918 175.7
[M-H]- 271.010424 167.1
[M+NH4]+ 290.051523 186.2
[M+K]+ 310.980858 165.6
[M+H-H2O]+ 255.014960 163.5
[M+HCOO]- 317.015901 190.0
[M+CH3COO]- 331.031551 195.4
[M+Na-2H]- 292.992366 169.0
[M]+ 272.01715142 190.2
[M]- 272.01824858 190.2
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