CID 4451077

2-cyano-n-(2,5-dibromophenyl)acetamide

Structural Information

Molecular Formula
C9H6Br2N2O
SMILES
C1=CC(=C(C=C1Br)NC(=O)CC#N)Br
InChI
InChI=1S/C9H6Br2N2O/c10-6-1-2-7(11)8(5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKey
JDIYNVGKIAEAEH-UHFFFAOYSA-N
Compound name
2-cyano-N-(2,5-dibromophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.8847 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.89198 137.2
[M+Na]+ 338.87392 149.2
[M-H]- 314.87742 141.0
[M+NH4]+ 333.91852 153.4
[M+K]+ 354.84786 132.9
[M+H-H2O]+ 298.88196 137.6
[M+HCOO]- 360.88290 154.8
[M+CH3COO]- 374.89855 215.6
[M+Na-2H]- 336.85937 143.5
[M]+ 315.88415 163.2
[M]- 315.88525 163.2
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.