CID 196997

2175-86-2

Structural Information

Molecular Formula
C6H6NO5P
SMILES
C1=CC(=CC=C1[N+](=O)[O-])P(=O)(O)O
InChI
InChI=1S/C6H6NO5P/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H2,10,11,12)
InChIKey
CBWCNKVANCTCAD-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

387
Patents

202.99835 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.00563 135.9
[M+Na]+ 225.98757 143.3
[M-H]- 201.99107 136.7
[M+NH4]+ 221.03217 153.4
[M+K]+ 241.96151 137.9
[M+H-H2O]+ 185.99561 133.5
[M+HCOO]- 247.99655 164.1
[M+CH3COO]- 262.01220 171.3
[M+Na-2H]- 223.97302 143.7
[M]+ 202.99780 134.6
[M]- 202.99890 134.6
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.