CID 44591520

(3-bromo-2,6-dimethoxy-4-pyridyl)diphenylphosphine oxide

Structural Information

Molecular Formula
C19H17BrNO3P
SMILES
COC1=NC(=C(C(=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)Br)OC
InChI
InChI=1S/C19H17BrNO3P/c1-23-17-13-16(18(20)19(21-17)24-2)25(22,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKey
HPEZMVARRFUNGM-UHFFFAOYSA-N
Compound name
3-bromo-4-diphenylphosphoryl-2,6-dimethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

417.01294 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.02022 197.7
[M+Na]+ 440.00216 207.7
[M-H]- 416.00566 207.2
[M+NH4]+ 435.04676 210.5
[M+K]+ 455.97610 196.3
[M+H-H2O]+ 400.01020 192.2
[M+HCOO]- 462.01114 220.9
[M+CH3COO]- 476.02679 219.5
[M+Na-2H]- 437.98761 199.9
[M]+ 417.01239 219.1
[M]- 417.01349 219.1
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