CID 110110

68391-45-7

Structural Information

Molecular Formula

C₆H₂Cl₂N₃O₂

SMILES

C1=C(C=C(C(=C1Cl)[N+]#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H2Cl2N3O2/c7-4-1-3(11(12)13)2-5(8)6(4)10-9/h1-2H/q+1

InChIKey

LHBLJFRXJYKYNM-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-nitrobenzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 217.95241 Da
Monoisotopic Mass: 4.0
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]+	218.95969	148.9
[M+Na]+	240.94163	160.1
[M-H]-	216.94513	152.7
[M+NH4]+	235.98623	165.6
[M+K]+	256.91557	148.1
[M+H-H2O]+	200.94967	145.3
[M+HCOO]-	262.95061	164.0
[M+CH3COO]-	276.96626	190.9
[M+Na-2H]-	238.92708	156.5
[M]+	217.95186	145.1
[M]-	217.95296	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe