CID 53403844

1260891-49-3

Structural Information

Molecular Formula

C₇H₃Cl₃N₂

SMILES

C1=C(C(=CC2=NNC(=C21)Cl)Cl)Cl

InChI

InChI=1S/C7H3Cl3N2/c8-4-1-3-6(2-5(4)9)11-12-7(3)10/h1-2H,(H,11,12)

InChIKey

OYOCRGWIWDUJNB-UHFFFAOYSA-N

Compound name

3,5,6-trichloro-2H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.93619 Da
Monoisotopic Mass: 3.8
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]+	220.94347	138.6
[M+Na]+	242.92541	152.2
[M-H]-	218.92891	138.0
[M+NH4]+	237.97001	158.1
[M+K]+	258.89935	145.1
[M+H-H2O]+	202.93345	133.6
[M+HCOO]-	264.93439	146.0
[M+CH3COO]-	278.95004	151.3
[M+Na-2H]-	240.91086	143.9
[M]+	219.93564	141.4
[M]-	219.93674	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe