CID 77561

4-iodobenzamide

Structural Information

Molecular Formula
C7H6INO
SMILES
C1=CC(=CC=C1C(=O)N)I
InChI
InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
XRNBLQCAFWFFPM-UHFFFAOYSA-N
Compound name
4-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

637
Patents

246.94942 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.956696 138.8
[M+Na]+ 269.938638 139.7
[M-H]- 245.942144 135.3
[M+NH4]+ 264.983243 154.8
[M+K]+ 285.912578 143.7
[M+H-H2O]+ 229.946680 129.5
[M+HCOO]- 291.947621 158.2
[M+CH3COO]- 305.963271 184.2
[M+Na-2H]- 267.924086 132.3
[M]+ 246.94887142 134.2
[M]- 246.94996858 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe