CID 11063338

3-methoxy-4-nitrobenzamide

Structural Information

Molecular Formula
C8H8N2O4
SMILES
COC1=C(C=CC(=C1)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O4/c1-14-7-4-5(8(9)11)2-3-6(7)10(12)13/h2-4H,1H3,(H2,9,11)
InChIKey
HBEDVMJPLSCWPI-UHFFFAOYSA-N
Compound name
3-methoxy-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

152
Patents

196.0484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.055676 136.7
[M+Na]+ 219.037618 144.1
[M-H]- 195.041124 140.5
[M+NH4]+ 214.082223 154.7
[M+K]+ 235.011558 139.2
[M+H-H2O]+ 179.045660 135.2
[M+HCOO]- 241.046601 162.8
[M+CH3COO]- 255.062251 179.7
[M+Na-2H]- 217.023066 143.2
[M]+ 196.04785142 135.6
[M]- 196.04894858 135.6
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