CID 28665

N-(4-bromophenyl)-2-iodoacetamide

Structural Information

Molecular Formula
C8H7BrINO
SMILES
C1=CC(=CC=C1NC(=O)CI)Br
InChI
InChI=1S/C8H7BrINO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)
InChIKey
KZEZEXWEHMUXPI-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

338.87558 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.88286 152.8
[M+Na]+ 361.86480 156.5
[M-H]- 337.86830 152.2
[M+NH4]+ 356.90940 169.0
[M+K]+ 377.83874 151.4
[M+H-H2O]+ 321.87284 148.5
[M+HCOO]- 383.87378 170.1
[M+CH3COO]- 397.88943 196.4
[M+Na-2H]- 359.85025 148.3
[M]+ 338.87503 166.9
[M]- 338.87613 166.9
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

patents stripe