CID 711406

2-chloro-n-methyl-5-nitro-n-phenylbenzamide

Structural Information

Molecular Formula
C14H11ClN2O3
SMILES
CN(C1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H11ClN2O3/c1-16(10-5-3-2-4-6-10)14(18)12-9-11(17(19)20)7-8-13(12)15/h2-9H,1H3
InChIKey
GKDLKMVODXIMNU-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-5-nitro-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0458 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.05308 163.0
[M+Na]+ 313.03502 169.5
[M-H]- 289.03852 170.9
[M+NH4]+ 308.07962 178.4
[M+K]+ 329.00896 162.2
[M+H-H2O]+ 273.04306 160.5
[M+HCOO]- 335.04400 184.7
[M+CH3COO]- 349.05965 198.9
[M+Na-2H]- 311.02047 168.3
[M]+ 290.04525 164.5
[M]- 290.04635 164.5
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

No patent data available for this compound.