CID 28604

17576-88-4

Structural Information

Molecular Formula
C14H14BrN3
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC(=CC=C2)Br
InChI
InChI=1S/C14H14BrN3/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(15)10-13/h3-10H,1-2H3
InChIKey
XMJQUNYUCLITRE-UHFFFAOYSA-N
Compound name
4-[(3-bromophenyl)diazenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0371 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04438 159.9
[M+Na]+ 326.02632 169.7
[M-H]- 302.02982 172.6
[M+NH4]+ 321.07092 179.4
[M+K]+ 342.00026 159.2
[M+H-H2O]+ 286.03436 156.4
[M+HCOO]- 348.03530 187.7
[M+CH3COO]- 362.05095 214.3
[M+Na-2H]- 324.01177 168.2
[M]+ 303.03655 180.0
[M]- 303.03765 180.0
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.