CID 27942

4-chloro-3-nitrobenzamide

Structural Information

Molecular Formula
C7H5ClN2O3
SMILES
C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
InChIKey
CGXRJCDXGJRBHV-UHFFFAOYSA-N
Compound name
4-chloro-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

235
Patents

199.99887 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00615 135.2
[M+Na]+ 222.98809 148.3
[M+NH4]+ 218.03269 143.1
[M+K]+ 238.96203 145.6
[M-H]- 198.99159 138.3
[M+Na-2H]- 220.97354 141.2
[M]+ 199.99832 137.9
[M]- 199.99942 137.9
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

patents stripe