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

204
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

literature stripe

Patent stripe

patents stripe