CID 23088467

705264-93-3

Structural Information

Molecular Formula

C₈H₇BrN₂O

SMILES

C1=CC2=NNC(=C2C=C1Br)CO

InChI

InChI=1S/C8H7BrN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4H2,(H,10,11)

InChIKey

KJJNZBMXSXIESR-UHFFFAOYSA-N

Compound name

(5-bromo-2H-indazol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 225.97418 Da
Monoisotopic Mass: 1.4
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	138.6
[M+Na]+	248.96340	152.7
[M-H]-	224.96690	141.7
[M+NH4]+	244.00800	159.8
[M+K]+	264.93734	140.4
[M+H-H2O]+	208.97144	138.8
[M+HCOO]-	270.97238	158.0
[M+CH3COO]-	284.98803	153.8
[M+Na-2H]-	246.94885	147.4
[M]+	225.97363	157.3
[M]-	225.97473	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe