CID 23354213

176244-22-7

Structural Information

Molecular Formula

C₇H₄Br₂N₂O

SMILES

C1=C2C(=CC(=C1Br)Br)NC(=O)N2

InChI

InChI=1S/C7H4Br2N2O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)

InChIKey

AGKMAWLNJXIZNR-UHFFFAOYSA-N

Compound name

5,6-dibromo-1,3-dihydrobenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 289.86905 Da
Monoisotopic Mass: 1.9
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]+	290.876326	134.9
[M+Na]+	312.858268	148.6
[M-H]-	288.861774	139.5
[M+NH4]+	307.902873	154.0
[M+K]+	328.832208	132.4
[M+H-H2O]+	272.866310	143.6
[M+HCOO]-	334.867251	149.9
[M+CH3COO]-	348.882901	149.6
[M+Na-2H]-	310.843716	143.2
[M]+	289.86850142	168.6
[M]-	289.86959858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe