CID 99553

2,2,6,6-tetrachloro-1-hydroxycyclohexanecarboxamide

Structural Information

Molecular Formula
C7H9Cl4NO2
SMILES
C1CC(C(C(C1)(Cl)Cl)(C(=O)N)O)(Cl)Cl
InChI
InChI=1S/C7H9Cl4NO2/c8-5(9)2-1-3-6(10,11)7(5,14)4(12)13/h14H,1-3H2,(H2,12,13)
InChIKey
RVKIWQKIIQDAJP-UHFFFAOYSA-N
Compound name
2,2,6,6-tetrachloro-1-hydroxycyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.93875 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.94603 143.5
[M+Na]+ 301.92797 152.3
[M-H]- 277.93147 143.0
[M+NH4]+ 296.97257 164.6
[M+K]+ 317.90191 147.0
[M+H-H2O]+ 261.93601 145.2
[M+HCOO]- 323.93695 143.5
[M+CH3COO]- 337.95260 193.9
[M+Na-2H]- 299.91342 146.9
[M]+ 278.93820 140.5
[M]- 278.93930 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe