CID 13708000

3,5-dibromo-1h-pyrazole

Structural Information

Molecular Formula

C₃H₂Br₂N₂

SMILES

C1=C(NN=C1Br)Br

InChI

InChI=1S/C3H2Br2N2/c4-2-1-3(5)7-6-2/h1H,(H,6,7)

InChIKey

UQFIWKBFQXGMJD-UHFFFAOYSA-N

Compound name

3,5-dibromo-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 450
Patents: 223.85847 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]+	224.86575	122.6
[M+Na]+	246.84769	135.4
[M-H]-	222.85119	127.0
[M+NH4]+	241.89229	143.3
[M+K]+	262.82163	120.5
[M+H-H2O]+	206.85573	131.0
[M+HCOO]-	268.85667	138.7
[M+CH3COO]-	282.87232	189.4
[M+Na-2H]-	244.83314	131.4
[M]+	223.85792	155.2
[M]-	223.85902	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe