CID 9588615

Brn 5533721

Structural Information

Molecular Formula

C₁₀H₉ClN₂O₂

SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)/C(=N\O)/N

InChI

InChI=1S/C10H9ClN2O2/c1-5-7-4-6(11)2-3-8(7)15-9(5)10(12)13-14/h2-4,14H,1H3,(H2,12,13)

InChIKey

KADWXZNRFZLHDG-UHFFFAOYSA-N

Compound name

5-chloro-N'-hydroxy-3-methyl-1-benzofuran-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.03525 Da
Monoisotopic Mass: 2.8
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]+	225.042526	146.7
[M+Na]+	247.024468	157.9
[M-H]-	223.027974	152.6
[M+NH4]+	242.069073	167.2
[M+K]+	262.998408	154.4
[M+H-H2O]+	207.032510	141.9
[M+HCOO]-	269.033451	168.4
[M+CH3COO]-	283.049101	191.4
[M+Na-2H]-	245.009916	152.6
[M]+	224.03470142	150.9
[M]-	224.03579858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.