CID 90653

4-methyl-2-nitrobenzenediazonium

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

164.046 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05328 134.7
[M+Na]+ 187.03522 149.2
[M+NH4]+ 182.07982 140.8
[M+K]+ 203.00916 143.0
[M-H]- 163.03872 133.2
[M+Na-2H]- 185.02067 140.2
[M]+ 164.04545 135.8
[M]- 164.04655 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