CID 447336

Alpha-benzyl-aminobenzyl-phosphonic acid

Structural Information

Molecular Formula
C14H16NO3P
SMILES
C1=CC=C(C=C1)CN[C@@H](C2=CC=CC=C2)P(=O)(O)O
InChI
InChI=1S/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m1/s1
InChIKey
SLMGIUOAZCYKPE-CQSZACIVSA-N
Compound name
[(R)-(benzylamino)-phenylmethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.0868 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09408 164.3
[M+Na]+ 300.07602 168.5
[M-H]- 276.07952 166.6
[M+NH4]+ 295.12062 178.3
[M+K]+ 316.04996 164.9
[M+H-H2O]+ 260.08406 154.7
[M+HCOO]- 322.08500 189.8
[M+CH3COO]- 336.10065 195.5
[M+Na-2H]- 298.06147 167.2
[M]+ 277.08625 162.3
[M]- 277.08735 162.3
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

No patent data available for this compound.