CID 53154

4-chlorodibenzofuran

Structural Information

Molecular Formula
C12H7ClO
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)Cl
InChI
InChI=1S/C12H7ClO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
InChIKey
RHRYBWFAHXCUCR-UHFFFAOYSA-N
Compound name
4-chlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

57
Patents

202.01854 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02582 137.9
[M+Na]+ 225.00776 150.9
[M-H]- 201.01126 145.0
[M+NH4]+ 220.05236 161.1
[M+K]+ 240.98170 146.3
[M+H-H2O]+ 185.01580 133.4
[M+HCOO]- 247.01674 158.1
[M+CH3COO]- 261.03239 153.5
[M+Na-2H]- 222.99321 147.8
[M]+ 202.01799 143.6
[M]- 202.01909 143.6
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

No patent data available for this compound.