CID 45480301

5-bromo-3-cyclopropyl-1h-indazole

Structural Information

Molecular Formula

C₁₀H₉BrN₂

SMILES

C1CC1C2=C3C=C(C=CC3=NN2)Br

InChI

InChI=1S/C10H9BrN2/c11-7-3-4-9-8(5-7)10(13-12-9)6-1-2-6/h3-6H,1-2H2,(H,12,13)

InChIKey

JRSSYANVUSLZAY-UHFFFAOYSA-N

Compound name

5-bromo-3-cyclopropyl-2H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 235.9949 Da
Monoisotopic Mass: 2.8
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]+	237.00218	140.5
[M+Na]+	258.98412	147.0
[M+NH4]+	254.02872	146.7
[M+K]+	274.95806	148.4
[M-H]-	234.98762	147.7
[M+Na-2H]-	256.96957	147.4
[M]+	235.99435	143.4
[M]-	235.99545	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe