CID 78392

2,6-dichlorobenzoyl chloride

Structural Information

Molecular Formula
C7H3Cl3O
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl
InChI
InChI=1S/C7H3Cl3O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H
InChIKey
JBLIDPPHFGWTKU-UHFFFAOYSA-N
Compound name
2,6-dichlorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

3416
Patents

207.92494 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.93222 133.2
[M+Na]+ 230.91416 144.3
[M-H]- 206.91766 135.7
[M+NH4]+ 225.95876 153.6
[M+K]+ 246.88810 138.8
[M+H-H2O]+ 190.92220 130.8
[M+HCOO]- 252.92314 142.7
[M+CH3COO]- 266.93879 184.0
[M+Na-2H]- 228.89961 137.7
[M]+ 207.92439 136.2
[M]- 207.92549 136.2
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