CID 1812012

1825-23-6

Structural Information

Molecular Formula
C7Cl6O
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=O)Cl
InChI
InChI=1S/C7Cl6O/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10
InChIKey
AAUSLOKBERXEER-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentachlorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

309.80804 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.81532 157.8
[M+Na]+ 332.79726 167.5
[M-H]- 308.80076 154.6
[M+NH4]+ 327.84186 171.6
[M+K]+ 348.77120 163.1
[M+H-H2O]+ 292.80530 156.6
[M+HCOO]- 354.80624 150.3
[M+CH3COO]- 368.82189 206.3
[M+Na-2H]- 330.78271 154.9
[M]+ 309.80749 155.9
[M]- 309.80859 155.9
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