CID 37207

1-chlorodibenzo-p-dioxin

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

11
References

446
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 151.6
[M-H]- 217.00618 147.7
[M+NH4]+ 236.04728 159.7
[M+K]+ 256.97662 149.1
[M+H-H2O]+ 201.01072 135.1
[M+HCOO]- 263.01166 156.5
[M+CH3COO]- 277.02731 154.9
[M+Na-2H]- 238.98813 152.2
[M]+ 218.01291 144.8
[M]- 218.01401 144.8
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.