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
4
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]+ 219.020736 140.7
[M+Na]+ 241.002678 151.6
[M-H]- 217.006184 147.7
[M+NH4]+ 236.047283 159.7
[M+K]+ 256.976618 149.1
[M+H-H2O]+ 201.010720 135.1
[M+HCOO]- 263.011661 156.5
[M+CH3COO]- 277.027311 154.9
[M+Na-2H]- 238.988126 152.2
[M]+ 218.01291142 144.8
[M]- 218.01400858 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

literature stripe

Patent stripe

patents stripe