CID 710871

2-chloro-n-methyl-4-nitrobenzamide

Structural Information

Molecular Formula
C8H7ClN2O3
SMILES
CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H7ClN2O3/c1-10-8(12)6-3-2-5(11(13)14)4-7(6)9/h2-4H,1H3,(H,10,12)
InChIKey
JJHDDZVTQOVWRK-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

214.01453 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02181 141.0
[M+Na]+ 237.00375 149.1
[M-H]- 213.00725 145.0
[M+NH4]+ 232.04835 159.5
[M+K]+ 252.97769 142.2
[M+H-H2O]+ 197.01179 140.9
[M+HCOO]- 259.01273 162.9
[M+CH3COO]- 273.02838 181.5
[M+Na-2H]- 234.98920 147.7
[M]+ 214.01398 141.5
[M]- 214.01508 141.5
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