CID 2075

Aklomide

Structural Information

Molecular Formula

C₇H₅ClN₂O₃

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N

InChI

InChI=1S/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11)

InChIKey

GFGSZUNNBQXGMK-UHFFFAOYSA-N

Compound name

2-chloro-4-nitrobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 554
Patents: 199.99887 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe