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

0
References

79
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

No literature data available for this compound.

Patent stripe

patents stripe