CID 74329

1694-64-0

Structural Information

Molecular Formula
C14H10Br2N2O2
SMILES
C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CBr
InChI
InChI=1S/C14H10Br2N2O2/c15-8-13(19)18-11-5-4-9(16)7-10(11)14(20)12-3-1-2-6-17-12/h1-7H,8H2,(H,18,19)
InChIKey
UVLXUZHEDUOEQB-UHFFFAOYSA-N
Compound name
2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

395.9109 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.91818 161.3
[M+Na]+ 418.90012 169.8
[M-H]- 394.90362 168.9
[M+NH4]+ 413.94472 175.4
[M+K]+ 434.87406 154.2
[M+H-H2O]+ 378.90816 167.3
[M+HCOO]- 440.90910 176.2
[M+CH3COO]- 454.92475 217.9
[M+Na-2H]- 416.88557 166.6
[M]+ 395.91035 194.9
[M]- 395.91145 194.9
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