CID 76403

3,4-dichlorobenzoyl chloride

Structural Information

Molecular Formula
C7H3Cl3O
SMILES
C1=CC(=C(C=C1C(=O)Cl)Cl)Cl
InChI
InChI=1S/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H
InChIKey
VTXNOVCTHUBABW-UHFFFAOYSA-N
Compound name
3,4-dichlorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2633
Patents

207.92494 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.93222 135.7
[M+Na]+ 230.91416 151.3
[M+NH4]+ 225.95876 145.3
[M+K]+ 246.88810 143.3
[M-H]- 206.91766 137.8
[M+Na-2H]- 228.89961 143.4
[M]+ 207.92439 139.5
[M]- 207.92549 139.5
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