CID 51923

2',4'-dibromo-2-iodoacetanilide

Structural Information

Molecular Formula
C8H6Br2INO
SMILES
C1=CC(=C(C=C1Br)Br)NC(=O)CI
InChI
InChI=1S/C8H6Br2INO/c9-5-1-2-7(6(10)3-5)12-8(13)4-11/h1-3H,4H2,(H,12,13)
InChIKey
YASONIVVDRCKSC-UHFFFAOYSA-N
Compound name
N-(2,4-dibromophenyl)-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.7861 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.79338 153.8
[M+Na]+ 439.77532 158.4
[M-H]- 415.77882 154.9
[M+NH4]+ 434.81992 168.2
[M+K]+ 455.74926 147.6
[M+H-H2O]+ 399.78336 157.2
[M+HCOO]- 461.78430 166.4
[M+CH3COO]- 475.79995 212.2
[M+Na-2H]- 437.76077 150.4
[M]+ 416.78555 183.0
[M]- 416.78665 183.0
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.