CID 9588617

Brn 5533722

Structural Information

Molecular Formula

C₁₀H₉BrN₂O₂

SMILES

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

InChI

InChI=1S/C10H9BrN2O2/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

IFIXIGVSBYNGFO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.98474 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]+	268.992016	151.9
[M+Na]+	290.973958	164.7
[M-H]-	266.977464	160.1
[M+NH4]+	286.018563	173.0
[M+K]+	306.947898	154.1
[M+H-H2O]+	250.982000	151.1
[M+HCOO]-	312.982941	175.3
[M+CH3COO]-	326.998591	197.2
[M+Na-2H]-	288.959406	158.8
[M]+	267.98419142	172.0
[M]-	267.98528858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.