CID 446757

Methyl-phosphonic acid mono-(4-nitro-phenyl) ester

Structural Information

Molecular Formula
C7H8NO5P
SMILES
CP(=O)(O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12)
InChIKey
VJPXTXIEAOSJBR-UHFFFAOYSA-N
Compound name
methyl-(4-nitrophenoxy)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

217.014 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02128 140.5
[M+Na]+ 240.00322 147.9
[M-H]- 216.00672 142.5
[M+NH4]+ 235.04782 158.1
[M+K]+ 255.97716 143.2
[M+H-H2O]+ 200.01126 137.7
[M+HCOO]- 262.01220 169.8
[M+CH3COO]- 276.02785 177.1
[M+Na-2H]- 237.98867 148.2
[M]+ 217.01345 141.5
[M]- 217.01455 141.5
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