CID 51464

1,2,4,7,9-pentachlorodibenzofuran

Structural Information

Molecular Formula
C12H3Cl5O
SMILES
C1=C(C=C(C2=C1OC3=C2C(=C(C=C3Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H3Cl5O/c13-4-1-5(14)9-8(2-4)18-12-7(16)3-6(15)11(17)10(9)12/h1-3H
InChIKey
IYGVHNHWORPMFU-UHFFFAOYSA-N
Compound name
1,2,4,7,9-pentachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1
Patents

337.86264 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.86992 170.5
[M+Na]+ 360.85186 184.3
[M-H]- 336.85536 171.8
[M+NH4]+ 355.89646 187.4
[M+K]+ 376.82580 178.7
[M+H-H2O]+ 320.85990 167.7
[M+HCOO]- 382.86084 167.9
[M+CH3COO]- 396.87649 180.7
[M+Na-2H]- 358.83731 171.3
[M]+ 337.86209 175.5
[M]- 337.86319 175.5
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

patents stripe