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

133
Patents

272.0177 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02498 165.6
[M+Na]+ 295.00692 175.7
[M-H]- 271.01042 167.1
[M+NH4]+ 290.05152 186.2
[M+K]+ 310.98086 165.6
[M+H-H2O]+ 255.01496 163.5
[M+HCOO]- 317.01590 190.0
[M+CH3COO]- 331.03155 195.4
[M+Na-2H]- 292.99237 169.0
[M]+ 272.01715 190.2
[M]- 272.01825 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