CID 118558

4-methoxy-2-nitrobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

196.0484 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe