CID 16728415

1-[3-[(4,5,6-tribromo-2,2-dimethyl-3h-benzofuran-7-yl)oxy]propyl]piperidine

Structural Information

Molecular Formula
C18H24Br3NO2
SMILES
CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCCCN3CCCCC3)C
InChI
InChI=1S/C18H24Br3NO2/c1-18(2)11-12-13(19)14(20)15(21)17(16(12)24-18)23-10-6-9-22-7-4-3-5-8-22/h3-11H2,1-2H3
InChIKey
IYFRESSSLQQRCO-UHFFFAOYSA-N
Compound name
1-[3-[(4,5,6-tribromo-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

522.9357 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.94298 177.3
[M+Na]+ 545.92492 183.4
[M-H]- 521.92842 184.0
[M+NH4]+ 540.96952 189.8
[M+K]+ 561.89886 170.1
[M+H-H2O]+ 505.93296 192.6
[M+HCOO]- 567.93390 183.1
[M+CH3COO]- 581.94955 236.6
[M+Na-2H]- 543.91037 178.4
[M]+ 522.93515 218.7
[M]- 522.93625 218.7
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

No patent data available for this compound.