CID 3901448

N-(2-bromo-4,6-difluorophenyl)-2-chloroacetamide

Structural Information

Molecular Formula
C8H5BrClF2NO
SMILES
C1=C(C=C(C(=C1F)NC(=O)CCl)Br)F
InChI
InChI=1S/C8H5BrClF2NO/c9-5-1-4(11)2-6(12)8(5)13-7(14)3-10/h1-2H,3H2,(H,13,14)
InChIKey
VIYRSFGUQQLVND-UHFFFAOYSA-N
Compound name
N-(2-bromo-4,6-difluorophenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.9211 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.92838 147.2
[M+Na]+ 305.91032 160.9
[M-H]- 281.91382 151.5
[M+NH4]+ 300.95492 167.8
[M+K]+ 321.88426 147.2
[M+H-H2O]+ 265.91836 146.2
[M+HCOO]- 327.91930 163.5
[M+CH3COO]- 341.93495 196.7
[M+Na-2H]- 303.89577 152.2
[M]+ 282.92055 165.3
[M]- 282.92165 165.3
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.