CID 78138

4422-95-1

Structural Information

Molecular Formula
C9H3Cl3O3
SMILES
C1=C(C=C(C=C1C(=O)Cl)C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C9H3Cl3O3/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-3H
InChIKey
UWCPYKQBIPYOLX-UHFFFAOYSA-N
Compound name
benzene-1,3,5-tricarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

15329
Patents

263.91476 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.92204 142.7
[M+Na]+ 286.90398 153.1
[M-H]- 262.90748 145.5
[M+NH4]+ 281.94858 160.7
[M+K]+ 302.87792 148.0
[M+H-H2O]+ 246.91202 140.3
[M+HCOO]- 308.91296 150.9
[M+CH3COO]- 322.92861 193.5
[M+Na-2H]- 284.88943 144.4
[M]+ 263.91421 147.2
[M]- 263.91531 147.2
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