CID 14958907

4-methoxy-3-nitrophenol

Structural Information

Molecular Formula
C7H7NO4
SMILES
COC1=C(C=C(C=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO4/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,9H,1H3
InChIKey
AADXAMFLYDYIFS-UHFFFAOYSA-N
Compound name
4-methoxy-3-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

169.0375 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 129.6
[M+Na]+ 192.026718 138.0
[M-H]- 168.030224 132.8
[M+NH4]+ 187.071323 148.9
[M+K]+ 208.000658 133.0
[M+H-H2O]+ 152.034760 129.0
[M+HCOO]- 214.035701 155.0
[M+CH3COO]- 228.051351 170.1
[M+Na-2H]- 190.012166 138.0
[M]+ 169.03695142 129.5
[M]- 169.03804858 129.5
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