CID 114900

6-methyl-1,3,8-trichlorodibenzofuran

Structural Information

Molecular Formula
C13H7Cl3O
SMILES
CC1=CC(=CC2=C1OC3=C2C(=CC(=C3)Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl3O/c1-6-2-7(14)3-9-12-10(16)4-8(15)5-11(12)17-13(6)9/h2-5H,1H3
InChIKey
RPMARRQIRRJWEZ-UHFFFAOYSA-N
Compound name
1,3,8-trichloro-6-methyldibenzofuran
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

35
References

179
Patents

283.95624 Da
Monoisotopic Mass

6.1
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

literature stripe

Patent stripe

patents stripe