CID 83130

6-chloro-4-nitro-1h-benzotriazole

Structural Information

Molecular Formula

C₆H₃ClN₄O₂

SMILES

C1=C(C=C(C2=NNN=C21)[N+](=O)[O-])Cl

InChI

InChI=1S/C6H3ClN4O2/c7-3-1-4-6(9-10-8-4)5(2-3)11(12)13/h1-2H,(H,8,9,10)

InChIKey

HRBBUEDJKCLTQE-UHFFFAOYSA-N

Compound name

6-chloro-4-nitro-2H-benzotriazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 282
Patents: 197.99445 Da
Monoisotopic Mass: 1.5
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]+	199.00173	131.6
[M+Na]+	220.98367	146.8
[M+NH4]+	216.02827	139.5
[M+K]+	236.95761	145.2
[M-H]-	196.98717	133.0
[M+Na-2H]-	218.96912	138.2
[M]+	197.99390	134.2
[M]-	197.99500	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe