CID 80133

Benzenediazonium, 2-chloro-4-nitro-, sulfate (2:1)

Structural Information

Molecular Formula

C₆H₃ClN₃O₂

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)[N+]#N

InChI

InChI=1S/C6H3ClN3O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3H/q+1

InChIKey

RPBHOCHAHBSRLM-UHFFFAOYSA-N

Compound name

2-chloro-4-nitrobenzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 183.99138 Da
Monoisotopic Mass: 3.2
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]+	184.99866	142.0
[M+Na]+	206.98060	152.5
[M-H]-	182.98410	146.5
[M+NH4]+	202.02520	159.5
[M+K]+	222.95454	141.4
[M+H-H2O]+	166.98864	137.2
[M+HCOO]-	228.98958	161.8
[M+CH3COO]-	243.00523	185.7
[M+Na-2H]-	204.96605	151.2
[M]+	183.99083	136.9
[M]-	183.99193	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe