CID 286562

2-chloro-5-nitrobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

199.99887 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00615 136.4
[M+Na]+ 222.98809 144.8
[M-H]- 198.99159 140.0
[M+NH4]+ 218.03269 155.1
[M+K]+ 238.96203 137.9
[M+H-H2O]+ 182.99613 136.5
[M+HCOO]- 244.99707 158.0
[M+CH3COO]- 259.01272 178.4
[M+Na-2H]- 220.97354 142.6
[M]+ 199.99832 135.6
[M]- 199.99942 135.6
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