CID 2779466

4-ethoxyphenylphosphonic acid

Structural Information

Molecular Formula
C8H11O4P
SMILES
CCOC1=CC=C(C=C1)P(=O)(O)O
InChI
InChI=1S/C8H11O4P/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKey
ORUZLAKPEKBACC-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

202.03949 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04677 143.1
[M+Na]+ 225.02871 150.8
[M-H]- 201.03221 143.2
[M+NH4]+ 220.07331 161.5
[M+K]+ 241.00265 149.2
[M+H-H2O]+ 185.03675 135.8
[M+HCOO]- 247.03769 169.5
[M+CH3COO]- 261.05334 178.9
[M+Na-2H]- 223.01416 147.1
[M]+ 202.03894 145.2
[M]- 202.04004 145.2
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