CID 161593

5-(4-nitrophenyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C11H7NO5
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C11H7NO5/c13-11(14)10-6-5-9(17-10)7-1-3-8(4-2-7)12(15)16/h1-6H,(H,13,14)
InChIKey
FXZTYDPWMQBTDH-UHFFFAOYSA-N
Compound name
5-(4-nitrophenyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

169
Patents

233.03242 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03970 146.3
[M+Na]+ 256.02164 159.1
[M+NH4]+ 251.06624 153.3
[M+K]+ 271.99558 159.3
[M-H]- 232.02514 150.9
[M+Na-2H]- 254.00709 152.3
[M]+ 233.03187 149.1
[M]- 233.03297 149.1
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