CID 78138

1,3,5-benzenetricarbonyl trichloride

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
4
Annotation Hits

7
References

15412
Patents

263.91476 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.922036 142.7
[M+Na]+ 286.903978 153.1
[M-H]- 262.907484 145.5
[M+NH4]+ 281.948583 160.7
[M+K]+ 302.877918 148.0
[M+H-H2O]+ 246.912020 140.3
[M+HCOO]- 308.912961 150.9
[M+CH3COO]- 322.928611 193.5
[M+Na-2H]- 284.889426 144.4
[M]+ 263.91421142 147.2
[M]- 263.91530858 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