CID 91799

2-methoxy-4-nitrobenzenediazonium

Structural Information

Molecular Formula
C7H6N3O3
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N
InChI
InChI=1S/C7H6N3O3/c1-13-7-4-5(10(11)12)2-3-6(7)9-8/h2-4H,1H3/q+1
InChIKey
QCONCWPZAHEPSP-UHFFFAOYSA-N
Compound name
2-methoxy-4-nitrobenzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

80
Patents

180.04091 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04819 141.3
[M+Na]+ 203.03013 150.8
[M-H]- 179.03363 146.1
[M+NH4]+ 198.07473 158.2
[M+K]+ 219.00407 141.6
[M+H-H2O]+ 163.03817 135.1
[M+HCOO]- 225.03911 165.0
[M+CH3COO]- 239.05476 186.8
[M+Na-2H]- 201.01558 150.9
[M]+ 180.04036 135.8
[M]- 180.04146 135.8
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