CID 74378

3-iodobenzoyl chloride

Structural Information

Molecular Formula
C7H4ClIO
SMILES
C1=CC(=CC(=C1)I)C(=O)Cl
InChI
InChI=1S/C7H4ClIO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
InChIKey
DTELTOREECFDBC-UHFFFAOYSA-N
Compound name
3-iodobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

693
Patents

265.89954 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.90682 133.4
[M+Na]+ 288.88876 136.0
[M-H]- 264.89226 130.3
[M+NH4]+ 283.93336 150.2
[M+K]+ 304.86270 138.5
[M+H-H2O]+ 248.89680 125.5
[M+HCOO]- 310.89774 148.4
[M+CH3COO]- 324.91339 184.0
[M+Na-2H]- 286.87421 128.0
[M]+ 265.89899 132.5
[M]- 265.90009 132.5
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