CID 82133

1,2,4,5-benzenetetracarbonyl tetrachloride

Structural Information

Molecular Formula
C10H2Cl4O4
SMILES
C1=C(C(=CC(=C1C(=O)Cl)C(=O)Cl)C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C10H2Cl4O4/c11-7(15)3-1-4(8(12)16)6(10(14)18)2-5(3)9(13)17/h1-2H
InChIKey
FNGBYWBFWZVPPV-UHFFFAOYSA-N
Compound name
benzene-1,2,4,5-tetracarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1208
Patents

325.87073 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.87801 151.3
[M+Na]+ 348.85995 161.5
[M-H]- 324.86345 153.1
[M+NH4]+ 343.90455 166.6
[M+K]+ 364.83389 156.6
[M+H-H2O]+ 308.86799 150.0
[M+HCOO]- 370.86893 153.5
[M+CH3COO]- 384.88458 205.1
[M+Na-2H]- 346.84540 150.0
[M]+ 325.87018 156.1
[M]- 325.87128 156.1
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