CID 139597233

Schembl21556356

Structural Information

Molecular Formula
C8H6INO2
SMILES
C1=CC=C(C(=C1)C(=O)N)C(=O)I
InChI
InChI=1S/C8H6INO2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,10,12)
InChIKey
TYEABEDSZWWXRE-UHFFFAOYSA-N
Compound name
2-carbamoylbenzoyl iodide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.94434 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.951616 146.2
[M+Na]+ 297.933558 146.6
[M-H]- 273.937064 142.6
[M+NH4]+ 292.978163 160.9
[M+K]+ 313.907498 150.8
[M+H-H2O]+ 257.941600 136.6
[M+HCOO]- 319.942541 164.7
[M+CH3COO]- 333.958191 189.0
[M+Na-2H]- 295.919006 137.9
[M]+ 274.94379142 142.0
[M]- 274.94488858 142.0
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

patents stripe