CID 87895

Ethyl 4-hydroxy-3-nitrobenzoate

Structural Information

Molecular Formula
C9H9NO5
SMILES
CCOC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO5/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,11H,2H2,1H3
InChIKey
FBHJNBWUGONVNS-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

211.04807 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 141.3
[M+Na]+ 234.03729 153.3
[M+NH4]+ 229.08189 147.8
[M+K]+ 250.01123 151.7
[M-H]- 210.04079 142.7
[M+Na-2H]- 232.02274 145.9
[M]+ 211.04752 143.0
[M]- 211.04862 143.0
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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