CID 85423

Bis(2,6-dichlorobenzoic) anhydride

Structural Information

Molecular Formula
C14H6Cl4O3
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)OC(=O)C2=C(C=CC=C2Cl)Cl)Cl
InChI
InChI=1S/C14H6Cl4O3/c15-7-3-1-4-8(16)11(7)13(19)21-14(20)12-9(17)5-2-6-10(12)18/h1-6H
InChIKey
CGDWAVBBLJTVDO-UHFFFAOYSA-N
Compound name
(2,6-dichlorobenzoyl) 2,6-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
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 167.4
[M+Na]+ 384.89632 178.1
[M-H]- 360.89982 171.5
[M+NH4]+ 379.94092 181.5
[M+K]+ 400.87026 172.1
[M+H-H2O]+ 344.90436 163.6
[M+HCOO]- 406.90530 170.3
[M+CH3COO]- 420.92095 209.9
[M+Na-2H]- 382.88177 167.2
[M]+ 361.90655 172.7
[M]- 361.90765 172.7
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