CID 28666

Acetanilide, 3'-bromo-2-iodo-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.87558 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.882856 152.8
[M+Na]+ 361.864798 156.5
[M-H]- 337.868304 152.2
[M+NH4]+ 356.909403 169.0
[M+K]+ 377.838738 151.4
[M+H-H2O]+ 321.872840 148.5
[M+HCOO]- 383.873781 170.1
[M+CH3COO]- 397.889431 196.4
[M+Na-2H]- 359.850246 148.3
[M]+ 338.87503142 166.9
[M]- 338.87612858 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

No patent data available for this compound.