CID 33068

2',4'-dibromo-2,2-dichloroacetanilide

Structural Information

Molecular Formula

C₈H₅Br₂Cl₂NO

SMILES

C1=CC(=C(C=C1Br)Br)NC(=O)C(Cl)Cl

InChI

InChI=1S/C8H5Br2Cl2NO/c9-4-1-2-6(5(10)3-4)13-8(14)7(11)12/h1-3,7H,(H,13,14)

InChIKey

FETCUQLAQZOSHI-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(2,4-dibromophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 358.8115 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	359.81878	150.3
[M+Na]+	381.80072	162.4
[M-H]-	357.80422	156.7
[M+NH4]+	376.84532	168.4
[M+K]+	397.77466	143.9
[M+H-H2O]+	341.80876	158.7
[M+HCOO]-	403.80970	158.8
[M+CH3COO]-	417.82535	210.9
[M+Na-2H]-	379.78617	155.2
[M]+	358.81095	184.9
[M]-	358.81205	184.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe