CID 93222

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

Structural Information

Molecular Formula
C7H8BrN3
SMILES
CN=NNC1=CC=C(C=C1)Br
InChI
InChI=1S/C7H8BrN3/c1-9-11-10-7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10)
InChIKey
WWGBAHUOOPNMBT-UHFFFAOYSA-N
Compound name
4-bromo-N-(methyldiazenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

212.99016 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.99744 133.3
[M+Na]+ 235.97938 144.0
[M-H]- 211.98288 142.2
[M+NH4]+ 231.02398 155.9
[M+K]+ 251.95332 133.8
[M+H-H2O]+ 195.98742 131.3
[M+HCOO]- 257.98836 161.5
[M+CH3COO]- 272.00401 194.5
[M+Na-2H]- 233.96483 144.4
[M]+ 212.98961 151.8
[M]- 212.99071 151.8
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