CID 3291784

N-(4-chloro-2-nitrophenyl)-2-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C14H10ClN3O5
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H10ClN3O5/c1-8-10(3-2-4-12(8)17(20)21)14(19)16-11-6-5-9(15)7-13(11)18(22)23/h2-7H,1H3,(H,16,19)
InChIKey
PCKROMAFPDOHIC-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-nitrophenyl)-2-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.03088 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.03816 174.3
[M+Na]+ 358.02010 179.6
[M-H]- 334.02360 180.6
[M+NH4]+ 353.06470 185.8
[M+K]+ 373.99404 167.8
[M+H-H2O]+ 318.02814 176.0
[M+HCOO]- 380.02908 195.3
[M+CH3COO]- 394.04473 199.7
[M+Na-2H]- 356.00555 180.0
[M]+ 335.03033 173.5
[M]- 335.03143 173.5
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.