CID 3303442

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

Structural Information

Molecular Formula
C8H6BrCl2NO
SMILES
C1=CC(=C(C=C1Br)Cl)NC(=O)CCl
InChI
InChI=1S/C8H6BrCl2NO/c9-5-1-2-7(6(11)3-5)12-8(13)4-10/h1-3H,4H2,(H,12,13)
InChIKey
CHGAKXUQWOXUKE-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-chlorophenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.90097 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.90825 145.6
[M+Na]+ 303.89019 159.1
[M-H]- 279.89369 151.6
[M+NH4]+ 298.93479 166.6
[M+K]+ 319.86413 144.8
[M+H-H2O]+ 263.89823 147.1
[M+HCOO]- 325.89917 159.1
[M+CH3COO]- 339.91482 194.8
[M+Na-2H]- 301.87564 152.0
[M]+ 280.90042 166.3
[M]- 280.90152 166.3
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.