CID 151940

2-(4-nitrophenyl)-2-oxoacetic acid

Structural Information

Molecular Formula
C8H5NO5
SMILES
C1=CC(=CC=C1C(=O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C8H5NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4H,(H,11,12)
InChIKey
RREPYIWLDJQENS-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

142
Patents

195.01677 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02405 135.7
[M+Na]+ 218.00599 147.2
[M+NH4]+ 213.05059 142.0
[M+K]+ 233.97993 146.5
[M-H]- 194.00949 136.6
[M+Na-2H]- 215.99144 140.4
[M]+ 195.01622 137.2
[M]- 195.01732 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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