CID 66731

Benzenediazonium, 5-chloro-2-methoxy-

Structural Information

Molecular Formula

C₇H₆ClN₂O

SMILES

COC1=C(C=C(C=C1)Cl)[N+]#N

InChI

InChI=1S/C7H6ClN2O/c1-11-7-3-2-5(8)4-6(7)10-9/h2-4H,1H3/q+1

InChIKey

VPBQZZUDIGHCEB-UHFFFAOYSA-N

Compound name

5-chloro-2-methoxybenzenediazonium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 343
Patents: 169.01686 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]+	170.02414	133.0
[M+Na]+	192.00608	145.1
[M-H]-	168.00958	138.2
[M+NH4]+	187.05068	152.6
[M+K]+	207.98002	137.2
[M+H-H2O]+	152.01412	124.4
[M+HCOO]-	214.01506	152.5
[M+CH3COO]-	228.03071	188.4
[M+Na-2H]-	189.99153	142.2
[M]+	169.01631	130.8
[M]-	169.01741	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe