CID 888562

N-(2-tert-butylphenyl)-2-chloro-4-nitrobenzamide

Structural Information

Molecular Formula
C17H17ClN2O3
SMILES
CC(C)(C)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H17ClN2O3/c1-17(2,3)13-6-4-5-7-15(13)19-16(21)12-9-8-11(20(22)23)10-14(12)18/h4-10H,1-3H3,(H,19,21)
InChIKey
OCDBLPGQIIILJL-UHFFFAOYSA-N
Compound name
N-(2-tert-butylphenyl)-2-chloro-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.09277 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10005 176.4
[M+Na]+ 355.08199 182.8
[M-H]- 331.08549 183.1
[M+NH4]+ 350.12659 190.0
[M+K]+ 371.05593 174.2
[M+H-H2O]+ 315.09003 174.3
[M+HCOO]- 377.09097 195.0
[M+CH3COO]- 391.10662 205.1
[M+Na-2H]- 353.06744 181.6
[M]+ 332.09222 177.6
[M]- 332.09332 177.6
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.