CID 6912341

Sodium alpha-((4-ethoxycarbonylphenyl)amino)benzylphosphinate

Structural Information

Molecular Formula
C16H16NO4P
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(C2=CC=CC=C2)P(=O)=O
InChI
InChI=1S/C16H16NO4P/c1-2-21-16(18)13-8-10-14(11-9-13)17-15(22(19)20)12-6-4-3-5-7-12/h3-11,15,17H,2H2,1H3
InChIKey
DNOUGFXOJXKGDJ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0817 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.08898 172.4
[M+Na]+ 340.07092 177.0
[M-H]- 316.07442 177.5
[M+NH4]+ 335.11552 186.0
[M+K]+ 356.04486 174.8
[M+H-H2O]+ 300.07896 161.5
[M+HCOO]- 362.07990 200.4
[M+CH3COO]- 376.09555 208.7
[M+Na-2H]- 338.05637 171.3
[M]+ 317.08115 174.4
[M]- 317.08225 174.4
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

No patent data available for this compound.