CID 55293

1-chlorodibenzo[b,d]furan

Structural Information

Molecular Formula
C12H7ClO
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC=C3Cl
InChI
InChI=1S/C12H7ClO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H
InChIKey
WRSMJZYBNIAAEE-UHFFFAOYSA-N
Compound name
1-chlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

466
Patents

202.01854 Da
Monoisotopic Mass

4.3
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

literature stripe

Patent stripe

patents stripe