CID 22477852

(5-chloro-1h-indazol-3-yl)methanol

Structural Information

Molecular Formula

C₈H₇ClN₂O

SMILES

C1=CC2=NNC(=C2C=C1Cl)CO

InChI

InChI=1S/C8H7ClN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4H2,(H,10,11)

InChIKey

YBUIOIPQDAOQHA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 182.02469 Da
Monoisotopic Mass: 1.3
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]+	183.031966	133.4
[M+Na]+	205.013908	145.4
[M-H]-	181.017414	133.4
[M+NH4]+	200.058513	153.5
[M+K]+	220.987848	139.6
[M+H-H2O]+	165.021950	127.8
[M+HCOO]-	227.022891	150.3
[M+CH3COO]-	241.038541	147.0
[M+Na-2H]-	202.999356	140.8
[M]+	182.02414142	135.3
[M]-	182.02523858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe