CID 43140215

4-bromo-n'-hydroxythiophene-2-carboximidamide

Structural Information

Molecular Formula

C₅H₅BrN₂OS

SMILES

C1=C(SC=C1Br)/C(=N/O)/N

InChI

InChI=1S/C5H5BrN2OS/c6-3-1-4(10-2-3)5(7)8-9/h1-2,9H,(H2,7,8)

InChIKey

HOVHXDNCOSLMLH-UHFFFAOYSA-N

Compound name

4-bromo-N'-hydroxythiophene-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 219.9306 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]+	220.93788	131.6
[M+Na]+	242.91982	143.6
[M-H]-	218.92332	138.0
[M+NH4]+	237.96442	155.0
[M+K]+	258.89376	131.8
[M+H-H2O]+	202.92786	130.9
[M+HCOO]-	264.92880	151.1
[M+CH3COO]-	278.94445	185.0
[M+Na-2H]-	240.90527	135.8
[M]+	219.93005	149.2
[M]-	219.93115	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe