CID 15203873

1,3,5-cyclohexanetricarbonyl trichloride

Structural Information

Molecular Formula
C9H9Cl3O3
SMILES
C1C(CC(CC1C(=O)Cl)C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C9H9Cl3O3/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h4-6H,1-3H2
InChIKey
HIZMBMVNMBMUEE-UHFFFAOYSA-N
Compound name
cyclohexane-1,3,5-tricarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

866
Patents

269.96173 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96901 148.5
[M+Na]+ 292.95095 156.0
[M-H]- 268.95445 150.3
[M+NH4]+ 287.99555 166.1
[M+K]+ 308.92489 151.4
[M+H-H2O]+ 252.95899 146.4
[M+HCOO]- 314.95993 152.6
[M+CH3COO]- 328.97558 194.6
[M+Na-2H]- 290.93640 147.3
[M]+ 269.96118 148.8
[M]- 269.96228 148.8
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

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