CID 110493

2-nitrobenzenediazonium

Structural Information

Molecular Formula
C6H4N3O2
SMILES
C1=CC=C(C(=C1)[N+]#N)[N+](=O)[O-]
InChI
InChI=1S/C6H4N3O2/c7-8-5-3-1-2-4-6(5)9(10)11/h1-4H/q+1
InChIKey
AYTSDBGAHOKDHJ-UHFFFAOYSA-N
Compound name
2-nitrobenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

373
Patents

150.03035 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03763 135.2
[M+Na]+ 173.01957 144.5
[M-H]- 149.02307 139.8
[M+NH4]+ 168.06417 153.0
[M+K]+ 188.99351 134.9
[M+H-H2O]+ 133.02761 129.2
[M+HCOO]- 195.02855 159.0
[M+CH3COO]- 209.04420 181.4
[M+Na-2H]- 171.00502 145.6
[M]+ 150.02980 128.0
[M]- 150.03090 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe