CID 15278593

5-bromo-6-methoxy-1h-indazole

Structural Information

Molecular Formula

C₈H₇BrN₂O

SMILES

COC1=C(C=C2C=NNC2=C1)Br

InChI

InChI=1S/C8H7BrN2O/c1-12-8-3-7-5(2-6(8)9)4-10-11-7/h2-4H,1H3,(H,10,11)

InChIKey

WTPPKDNNECOBGC-UHFFFAOYSA-N

Compound name

5-bromo-6-methoxy-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 187
Patents: 225.97418 Da
Monoisotopic Mass: 2.2
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]+	226.98146	142.6
[M+Na]+	248.96340	147.0
[M+NH4]+	244.00800	147.5
[M+K]+	264.93734	148.0
[M-H]-	224.96690	142.2
[M+Na-2H]-	246.94885	145.8
[M]+	225.97363	141.9
[M]-	225.97473	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe