CID 871283

2-chloro-n-(2-isopropylphenyl)-4-nitrobenzamide

Structural Information

Molecular Formula
C16H15ClN2O3
SMILES
CC(C)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H15ClN2O3/c1-10(2)12-5-3-4-6-15(12)18-16(20)13-8-7-11(19(21)22)9-14(13)17/h3-10H,1-2H3,(H,18,20)
InChIKey
CLDIIJAOORKAIK-UHFFFAOYSA-N
Compound name
2-chloro-4-nitro-N-(2-propan-2-ylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

318.07712 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08440 171.9
[M+Na]+ 341.06634 178.0
[M-H]- 317.06984 178.4
[M+NH4]+ 336.11094 185.8
[M+K]+ 357.04028 169.5
[M+H-H2O]+ 301.07438 169.5
[M+HCOO]- 363.07532 191.4
[M+CH3COO]- 377.09097 203.3
[M+Na-2H]- 339.05179 175.1
[M]+ 318.07657 172.7
[M]- 318.07767 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.