CID 599619

3,4-dichlorobenzoic anhydride

Structural Information

Molecular Formula
C14H6Cl4O3
SMILES
C1=CC(=C(C=C1C(=O)OC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H6Cl4O3/c15-9-3-1-7(5-11(9)17)13(19)21-14(20)8-2-4-10(16)12(18)6-8/h1-6H
InChIKey
JKRVKAAJSJWYFT-UHFFFAOYSA-N
Compound name
(3,4-dichlorobenzoyl) 3,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

361.9071 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.91438 173.7
[M+Na]+ 384.89632 189.9
[M+NH4]+ 379.94092 181.5
[M+K]+ 400.87026 181.3
[M-H]- 360.89982 176.4
[M+Na-2H]- 382.88177 181.1
[M]+ 361.90655 178.0
[M]- 361.90765 178.0
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