CID 125708

Dibromobimane

Structural Information

Molecular Formula

C₁₀H₁₀Br₂N₂O₂

SMILES

CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)CBr

InChI

InChI=1S/C10H10Br2N2O2/c1-5-7(3-11)13-8(4-12)6(2)10(16)14(13)9(5)15/h3-4H2,1-2H3

InChIKey

OSIYFMVMZXJKSP-UHFFFAOYSA-N

Compound name

1,7-bis(bromomethyl)-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 30
References: 146
Patents: 347.9109 Da
Monoisotopic Mass: 1.6
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]+	348.91818	149.3
[M+Na]+	370.90012	165.1
[M-H]-	346.90362	156.6
[M+NH4]+	365.94472	169.7
[M+K]+	386.87406	149.9
[M+H-H2O]+	330.90816	157.7
[M+HCOO]-	392.90910	166.7
[M+CH3COO]-	406.92475	211.4
[M+Na-2H]-	368.88557	153.6
[M]+	347.91035	188.0
[M]-	347.91145	188.0

Literature stripe

literature stripe

Patent stripe

patents stripe