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

199
Patents

283.95624 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.96352 158.4
[M+Na]+ 306.94546 173.4
[M-H]- 282.94896 163.8
[M+NH4]+ 301.99006 179.1
[M+K]+ 322.91940 166.9
[M+H-H2O]+ 266.95350 155.0
[M+HCOO]- 328.95444 167.2
[M+CH3COO]- 342.97009 172.1
[M+Na-2H]- 304.93091 163.1
[M]+ 283.95569 166.6
[M]- 283.95679 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