CID 3075474

Trisodium 4-((phenylphosphonomethyl)amino)benzoate

Structural Information

Molecular Formula
C14H14NO5P
SMILES
C1=CC=C(C=C1)N(CP(=O)(O)O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H14NO5P/c16-14(17)11-6-8-13(9-7-11)15(10-21(18,19)20)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)(H2,18,19,20)
InChIKey
VRTWDQNZPFOURR-UHFFFAOYSA-N
Compound name
4-[N-(phosphonomethyl)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.06097 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06825 168.0
[M+Na]+ 330.05019 177.6
[M+NH4]+ 325.09479 172.9
[M+K]+ 346.02413 174.6
[M-H]- 306.05369 168.9
[M+Na-2H]- 328.03564 173.7
[M]+ 307.06042 169.2
[M]- 307.06152 169.2
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.