CID 2794817

3-chlorobenzamidoxime

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

C1=CC(=CC(=C1)Cl)C(=NO)N

InChI

InChI=1S/C7H7ClN2O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,(H2,9,10)

InChIKey

WYAJMVHDMUWQQA-UHFFFAOYSA-N

Compound name

3-chloro-N'-hydroxybenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 170.02469 Da
Monoisotopic Mass: 1.8
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]+	171.031966	132.5
[M+Na]+	193.013908	140.8
[M-H]-	169.017414	136.0
[M+NH4]+	188.058513	153.0
[M+K]+	208.987848	137.3
[M+H-H2O]+	153.021950	127.6
[M+HCOO]-	215.022891	154.0
[M+CH3COO]-	229.038541	180.6
[M+Na-2H]-	190.999356	138.7
[M]+	170.02414142	131.6
[M]-	170.02523858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe