CID 1477128

5-nitrobenzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C9H5NO5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C=C(O2)C(=O)O
InChI
InChI=1S/C9H5NO5/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)
InChIKey
LZKWLHXJPIKJSJ-UHFFFAOYSA-N
Compound name
5-nitro-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

398
Patents

207.01677 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02405 136.8
[M+Na]+ 230.00599 149.9
[M+NH4]+ 225.05059 144.2
[M+K]+ 245.97993 150.3
[M-H]- 206.00949 140.0
[M+Na-2H]- 227.99144 141.5
[M]+ 207.01622 139.3
[M]- 207.01732 139.3
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

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