CID 5326976

Dmat

Structural Information

Molecular Formula

C₉H₇Br₄N₃

SMILES

CN(C)C1=NC2=C(N1)C(=C(C(=C2Br)Br)Br)Br

InChI

InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)

InChIKey

SLPJGDQJLTYWCI-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 83
References: 7886
Patents: 472.73734 Da
Monoisotopic Mass: 4.7
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]+	473.74462	163.9
[M+Na]+	495.72656	158.9
[M+NH4]+	490.77116	164.7
[M+K]+	511.70050	165.2
[M-H]-	471.73006	165.7
[M+Na-2H]-	493.71201	164.8
[M]+	472.73679	164.1
[M]-	472.73789	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe