CID 364061

Nsc629700

Structural Information

Molecular Formula
C16H14Br2N2O2
SMILES
C1=CC=C(C(=C1)C2=CC=CC=C2NC(=O)CBr)NC(=O)CBr
InChI
InChI=1S/C16H14Br2N2O2/c17-9-15(21)19-13-7-3-1-5-11(13)12-6-2-4-8-14(12)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKey
UNXOBTBLAPXJSF-UHFFFAOYSA-N
Compound name
2-bromo-N-[2-[2-[(2-bromoacetyl)amino]phenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.9422 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.94948 172.9
[M+Na]+ 446.93142 179.7
[M-H]- 422.93492 180.8
[M+NH4]+ 441.97602 186.5
[M+K]+ 462.90536 163.3
[M+H-H2O]+ 406.93946 177.6
[M+HCOO]- 468.94040 188.6
[M+CH3COO]- 482.95605 223.8
[M+Na-2H]- 444.91687 176.7
[M]+ 423.94165 205.5
[M]- 423.94275 205.5
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.