CID 81652

1-(4-bromophenyl)-3,3-dimethyltriazene

Structural Information

Molecular Formula
C8H10BrN3
SMILES
CN(C)N=NC1=CC=C(C=C1)Br
InChI
InChI=1S/C8H10BrN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey
LFGYQNAHFGPILM-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)diazenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

227.00581 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01309 138.6
[M+Na]+ 249.99503 149.0
[M-H]- 225.99853 148.7
[M+NH4]+ 245.03963 161.2
[M+K]+ 265.96897 139.9
[M+H-H2O]+ 210.00307 136.2
[M+HCOO]- 272.00401 166.9
[M+CH3COO]- 286.01966 200.6
[M+Na-2H]- 247.98048 148.3
[M]+ 227.00526 158.6
[M]- 227.00636 158.6
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