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

139
Patents

169.0375 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 129.9
[M+Na]+ 192.02672 143.2
[M+NH4]+ 187.07132 137.8
[M+K]+ 208.00066 140.8
[M-H]- 168.03022 132.4
[M+Na-2H]- 190.01217 136.1
[M]+ 169.03695 132.3
[M]- 169.03805 132.3
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

patents stripe