CID 196997

(4-nitrophenyl)phosphonic acid

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

299
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

literature stripe

Patent stripe

patents stripe