CID 66545186

3-iodo-n-methoxy-n-methyl-5-nitrobenzamide

Structural Information

Molecular Formula
C9H9IN2O4
SMILES
CN(C(=O)C1=CC(=CC(=C1)I)[N+](=O)[O-])OC
InChI
InChI=1S/C9H9IN2O4/c1-11(16-2)9(13)6-3-7(10)5-8(4-6)12(14)15/h3-5H,1-2H3
InChIKey
CAPJJQUIPOALAQ-UHFFFAOYSA-N
Compound name
3-iodo-N-methoxy-N-methyl-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.9607 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.96798 163.8
[M+Na]+ 358.94992 163.6
[M-H]- 334.95342 162.2
[M+NH4]+ 353.99452 176.5
[M+K]+ 374.92386 165.7
[M+H-H2O]+ 318.95796 157.7
[M+HCOO]- 380.95890 184.7
[M+CH3COO]- 394.97455 197.2
[M+Na-2H]- 356.93537 156.7
[M]+ 335.96015 162.3
[M]- 335.96125 162.3
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

No patent data available for this compound.