CID 3276488

N-(2-bromo-4-nitrophenyl)-2-chloroacetamide

Structural Information

Molecular Formula
C8H6BrClN2O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)CCl
InChI
InChI=1S/C8H6BrClN2O3/c9-6-3-5(12(14)15)1-2-7(6)11-8(13)4-10/h1-3H,4H2,(H,11,13)
InChIKey
PLIKLVUFGZQMJW-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-nitrophenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.92502 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.93230 151.9
[M+Na]+ 314.91424 162.9
[M-H]- 290.91774 158.1
[M+NH4]+ 309.95884 170.8
[M+K]+ 330.88818 146.7
[M+H-H2O]+ 274.92228 156.1
[M+HCOO]- 336.92322 171.1
[M+CH3COO]- 350.93887 191.4
[M+Na-2H]- 312.89969 159.3
[M]+ 291.92447 171.3
[M]- 291.92557 171.3
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.