CID 47366

Cyclohexyl-pentachlorophenyl ether

Structural Information

Molecular Formula
C12H11Cl5O
SMILES
C1CCC(CC1)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H11Cl5O/c13-7-8(14)10(16)12(11(17)9(7)15)18-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
OGKJBDGAGLOKGG-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentachloro-6-cyclohexyloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

345.92526 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.93254 171.3
[M+Na]+ 368.91448 179.5
[M-H]- 344.91798 171.8
[M+NH4]+ 363.95908 185.0
[M+K]+ 384.88842 173.8
[M+H-H2O]+ 328.92252 167.6
[M+HCOO]- 390.92346 165.9
[M+CH3COO]- 404.93911 179.1
[M+Na-2H]- 366.89993 168.4
[M]+ 345.92471 169.6
[M]- 345.92581 169.6
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