CID 4089050

2-chloro-n-(2,6-dibromo-4-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H5Br2ClN2O3
SMILES
C1=C(C=C(C(=C1Br)NC(=O)CCl)Br)[N+](=O)[O-]
InChI
InChI=1S/C8H5Br2ClN2O3/c9-5-1-4(13(15)16)2-6(10)8(5)12-7(14)3-11/h1-2H,3H2,(H,12,14)
InChIKey
BWZYUNXEARRGLW-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-dibromo-4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.83554 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.84282 159.2
[M+Na]+ 392.82476 169.7
[M-H]- 368.82826 165.7
[M+NH4]+ 387.86936 175.7
[M+K]+ 408.79870 149.2
[M+H-H2O]+ 352.83280 169.1
[M+HCOO]- 414.83374 172.9
[M+CH3COO]- 428.84939 208.5
[M+Na-2H]- 390.81021 164.9
[M]+ 369.83499 194.1
[M]- 369.83609 194.1
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.