CID 38252

2-chlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H7ClO2
SMILES
C1=CC=C2C(=C1)OC3=C(O2)C=C(C=C3)Cl
InChI
InChI=1S/C12H7ClO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H
InChIKey
GIUGGRUEPHPVNR-UHFFFAOYSA-N
Compound name
2-chlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

50
Patents

218.01346 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02074 140.7
[M+Na]+ 241.00268 158.7
[M+NH4]+ 236.04728 152.0
[M+K]+ 256.97662 150.1
[M-H]- 217.00618 148.1
[M+Na-2H]- 238.98813 148.7
[M]+ 218.01291 146.1
[M]- 218.01401 146.1
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