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

literature stripe

Patent stripe

patents stripe