CID 9860652

Schembl6466778

Structural Information

Molecular Formula
C13H7Cl3O
SMILES
CC1=CC2=C(C=C1Cl)OC3=CC(=C(C=C32)Cl)Cl
InChI
InChI=1S/C13H7Cl3O/c1-6-2-7-8-3-10(15)11(16)5-13(8)17-12(7)4-9(6)14/h2-5H,1H3
InChIKey
FPJPKNUMQRLOTN-UHFFFAOYSA-N
Compound name
2,3,7-trichloro-8-methyldibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

283.95624 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.963516 158.4
[M+Na]+ 306.945458 173.4
[M-H]- 282.948964 163.8
[M+NH4]+ 301.990063 179.1
[M+K]+ 322.919398 166.9
[M+H-H2O]+ 266.953500 155.0
[M+HCOO]- 328.954441 167.2
[M+CH3COO]- 342.970091 172.1
[M+Na-2H]- 304.930906 163.1
[M]+ 283.95569142 166.6
[M]- 283.95678858 166.6
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