CID 2733703

2,4,6-trichlorobenzoyl chloride

Structural Information

Molecular Formula
C7H2Cl4O
SMILES
C1=C(C=C(C(=C1Cl)C(=O)Cl)Cl)Cl
InChI
InChI=1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H
InChIKey
OZGSEIVTQLXWRO-UHFFFAOYSA-N
Compound name
2,4,6-trichlorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3757
Patents

241.88597 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.89325 139.9
[M+Na]+ 264.87519 151.1
[M-H]- 240.87869 140.9
[M+NH4]+ 259.91979 158.5
[M+K]+ 280.84913 145.4
[M+H-H2O]+ 224.88323 138.2
[M+HCOO]- 286.88417 143.7
[M+CH3COO]- 300.89982 191.2
[M+Na-2H]- 262.86064 142.3
[M]+ 241.88542 142.3
[M]- 241.88652 142.3
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