CID 610193

2,3,6-trichlorobenzoyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

241.88597 Da
Monoisotopic Mass

4.5
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

No literature data available for this compound.

Patent stripe

patents stripe