CID 12868

2,3,5,6-tetrachloroterephthaloyl dichloride

Structural Information

Molecular Formula
C8Cl6O2
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)C(=O)Cl)Cl)Cl)C(=O)Cl
InChI
InChI=1S/C8Cl6O2/c9-3-1(7(13)15)4(10)6(12)2(5(3)11)8(14)16
InChIKey
YJIRZJAZKDWEIJ-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrachlorobenzene-1,4-dicarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

251
Patents

337.80295 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.81023 160.6
[M+Na]+ 360.79217 170.1
[M-H]- 336.79567 157.8
[M+NH4]+ 355.83677 173.6
[M+K]+ 376.76611 165.9
[M+H-H2O]+ 320.80021 159.8
[M+HCOO]- 382.80115 152.8
[M+CH3COO]- 396.81680 210.4
[M+Na-2H]- 358.77762 156.8
[M]+ 337.80240 159.6
[M]- 337.80350 159.6
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

No patent data available for this compound.