CID 20782562

Diethyl [(5-bromopyridin-2-yl)methyl]phosphonate hydrochloride

Structural Information

Molecular Formula
C10H15BrNO3P
SMILES
CCOP(=O)(CC1=NC=C(C=C1)Br)OCC
InChI
InChI=1S/C10H15BrNO3P/c1-3-14-16(13,15-4-2)8-10-6-5-9(11)7-12-10/h5-7H,3-4,8H2,1-2H3
InChIKey
FXHRUJPAPFLBML-UHFFFAOYSA-N
Compound name
5-bromo-2-(diethoxyphosphorylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

306.99728 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.00456 168.5
[M+Na]+ 329.98650 179.3
[M-H]- 305.99000 172.2
[M+NH4]+ 325.03110 186.5
[M+K]+ 345.96044 169.0
[M+H-H2O]+ 289.99454 165.3
[M+HCOO]- 351.99548 192.6
[M+CH3COO]- 366.01113 200.0
[M+Na-2H]- 327.97195 172.7
[M]+ 306.99673 192.1
[M]- 306.99783 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe