CID 81652

7239-21-6

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

2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.