CID 5463797

2,3,4,5-tetrachlorobenzoyl chloride

Structural Information

Molecular Formula
C7HCl5O
SMILES
C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)Cl
InChI
InChI=1S/C7HCl5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H
InChIKey
IROWIXYGGPOJFJ-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrachlorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

275.84702 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.85430 148.1
[M+Na]+ 298.83624 158.8
[M-H]- 274.83974 147.1
[M+NH4]+ 293.88084 164.5
[M+K]+ 314.81018 153.5
[M+H-H2O]+ 258.84428 146.7
[M+HCOO]- 320.84522 146.1
[M+CH3COO]- 334.86087 198.8
[M+Na-2H]- 296.82169 147.9
[M]+ 275.84647 148.7
[M]- 275.84757 148.7
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