CID 29847

Acetanilide, 2'-bromo-2,4',5'-trichloro-

Structural Information

Molecular Formula
C8H5BrCl3NO
SMILES
C1=C(C(=CC(=C1Cl)Cl)Br)NC(=O)CCl
InChI
InChI=1S/C8H5BrCl3NO/c9-4-1-5(11)6(12)2-7(4)13-8(14)3-10/h1-2H,3H2,(H,13,14)
InChIKey
QTUSKSYOGZUMDM-UHFFFAOYSA-N
Compound name
N-(2-bromo-4,5-dichlorophenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.862 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.86928 149.8
[M+Na]+ 337.85122 164.0
[M-H]- 313.85472 154.9
[M+NH4]+ 332.89582 169.7
[M+K]+ 353.82516 149.1
[M+H-H2O]+ 297.85926 152.0
[M+HCOO]- 359.86020 158.0
[M+CH3COO]- 373.87585 200.8
[M+Na-2H]- 335.83667 154.6
[M]+ 314.86145 170.3
[M]- 314.86255 170.3
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.