CID 94508

Triazene, 3-methyl-1-(p-nitrophenyl)-

Structural Information

Molecular Formula
C7H8N4O2
SMILES
CN=NNC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N4O2/c1-8-10-9-6-2-4-7(5-3-6)11(12)13/h2-5H,1H3,(H,8,9)
InChIKey
BDSNQOSDUXHMCI-UHFFFAOYSA-N
Compound name
N-(methyldiazenyl)-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

180.06473 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07201 131.7
[M+Na]+ 203.05395 138.1
[M-H]- 179.05745 138.4
[M+NH4]+ 198.09855 151.2
[M+K]+ 219.02789 134.0
[M+H-H2O]+ 163.06199 129.0
[M+HCOO]- 225.06293 164.1
[M+CH3COO]- 239.07858 186.0
[M+Na-2H]- 201.03940 143.0
[M]+ 180.06418 130.8
[M]- 180.06528 130.8
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