CID 12900532

3-methoxy-4-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

237
Patents

169.0375 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

patents stripe