CID 911172

5775-95-1

Structural Information

Molecular Formula

C₅H₆Br₂N₂

SMILES

CC1=C(C(=NN1C)Br)Br

InChI

InChI=1S/C5H6Br2N2/c1-3-4(6)5(7)8-9(3)2/h1-2H3

InChIKey

LNWORINWPDQJGF-UHFFFAOYSA-N

Compound name

3,4-dibromo-1,5-dimethylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 251.88977 Da
Monoisotopic Mass: 2.3
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]+	252.89705	128.2
[M+Na]+	274.87899	142.1
[M-H]-	250.88249	134.0
[M+NH4]+	269.92359	149.1
[M+K]+	290.85293	127.4
[M+H-H2O]+	234.88703	136.5
[M+HCOO]-	296.88797	144.9
[M+CH3COO]-	310.90362	197.6
[M+Na-2H]-	272.86444	135.5
[M]+	251.88922	163.3
[M]-	251.89032	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe