CID 74373

4-iodobenzoyl chloride

Structural Information

Molecular Formula
C7H4ClIO
SMILES
C1=CC(=CC=C1C(=O)Cl)I
InChI
InChI=1S/C7H4ClIO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
InChIKey
NJAKCIUOTIPYED-UHFFFAOYSA-N
Compound name
4-iodobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2052
Patents

265.89954 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.90682 135.0
[M+Na]+ 288.88876 141.8
[M+NH4]+ 283.93336 140.2
[M+K]+ 304.86270 138.1
[M-H]- 264.89226 131.3
[M+Na-2H]- 286.87421 130.4
[M]+ 265.89899 134.2
[M]- 265.90009 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