CID 57642

N-(2-bromoethyl)-4-phenyldiazenylbenzamide

Structural Information

Molecular Formula
C15H14BrN3O
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)NCCBr
InChI
InChI=1S/C15H14BrN3O/c16-10-11-17-15(20)12-6-8-14(9-7-12)19-18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,20)
InChIKey
ZBCKKGZHAGVDDR-UHFFFAOYSA-N
Compound name
N-(2-bromoethyl)-4-phenyldiazenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.032 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.03928 166.0
[M+Na]+ 354.02122 174.2
[M-H]- 330.02472 176.8
[M+NH4]+ 349.06582 183.3
[M+K]+ 369.99516 162.6
[M+H-H2O]+ 314.02926 162.2
[M+HCOO]- 376.03020 192.5
[M+CH3COO]- 390.04585 214.2
[M+Na-2H]- 352.00667 174.2
[M]+ 331.03145 184.9
[M]- 331.03255 184.9
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.