CID 483590

193764-65-7

Structural Information

Molecular Formula
C16H13Cl3O
SMILES
CCCCC1=C2C(=CC(=C1)Cl)C3=C(O2)C=C(C=C3Cl)Cl
InChI
InChI=1S/C16H13Cl3O/c1-2-3-4-9-5-10(17)6-12-15-13(19)7-11(18)8-14(15)20-16(9)12/h5-8H,2-4H2,1H3
InChIKey
JFJJETVSRGKBHC-UHFFFAOYSA-N
Compound name
6-butyl-1,3,8-trichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.0032 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.01048 172.8
[M+Na]+ 348.99242 186.6
[M-H]- 324.99592 177.7
[M+NH4]+ 344.03702 191.9
[M+K]+ 364.96636 179.3
[M+H-H2O]+ 309.00046 168.7
[M+HCOO]- 371.00140 180.6
[M+CH3COO]- 385.01705 185.1
[M+Na-2H]- 346.97787 175.8
[M]+ 326.00265 182.0
[M]- 326.00375 182.0
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

No patent data available for this compound.