CID 77529

2-iodobenzamide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

17
References

656
Patents

246.94942 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.95670 138.1
[M+Na]+ 269.93864 142.5
[M+NH4]+ 264.98324 142.3
[M+K]+ 285.91258 140.0
[M-H]- 245.94214 134.2
[M+Na-2H]- 267.92409 132.1
[M]+ 246.94887 136.4
[M]- 246.94997 136.4
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