CID 155214

Phosphonic acid, (p-acetamidophenyl)-

Structural Information

Molecular Formula
C8H10NO4P
SMILES
CC(=O)NC1=CC=C(C=C1)P(=O)(O)O
InChI
InChI=1S/C8H10NO4P/c1-6(10)9-7-2-4-8(5-3-7)14(11,12)13/h2-5H,1H3,(H,9,10)(H2,11,12,13)
InChIKey
DTWZQJUQXWWEJC-UHFFFAOYSA-N
Compound name
(4-acetamidophenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

215.03474 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04202 145.3
[M+Na]+ 238.02396 152.1
[M-H]- 214.02746 145.5
[M+NH4]+ 233.06856 162.7
[M+K]+ 253.99790 150.5
[M+H-H2O]+ 198.03200 137.7
[M+HCOO]- 260.03294 171.9
[M+CH3COO]- 274.04859 183.3
[M+Na-2H]- 236.00941 148.4
[M]+ 215.03419 145.0
[M]- 215.03529 145.0
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.