CID 105775

2-methyl-5-nitrobenzenediazonium

Structural Information

Molecular Formula
C7H6N3O2
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#N
InChI
InChI=1S/C7H6N3O2/c1-5-2-3-6(10(11)12)4-7(5)9-8/h2-4H,1H3/q+1
InChIKey
BTODPCCUJFGIMS-UHFFFAOYSA-N
Compound name
2-methyl-5-nitrobenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

164.046 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05328 138.9
[M+Na]+ 187.03522 148.6
[M-H]- 163.03872 143.8
[M+NH4]+ 182.07982 156.4
[M+K]+ 203.00916 138.9
[M+H-H2O]+ 147.04326 132.9
[M+HCOO]- 209.04420 162.4
[M+CH3COO]- 223.05985 185.0
[M+Na-2H]- 185.02067 148.3
[M]+ 164.04545 132.3
[M]- 164.04655 132.3
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