CID 11041568

2,2-dichloro-1,3-benzodioxole

Structural Information

Molecular Formula
C7H4Cl2O2
SMILES
C1=CC=C2C(=C1)OC(O2)(Cl)Cl
InChI
InChI=1S/C7H4Cl2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H
InChIKey
NMNKOUVBELKKTR-UHFFFAOYSA-N
Compound name
2,2-dichloro-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

135
Patents

189.95883 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.966106 131.7
[M+Na]+ 212.948048 143.3
[M-H]- 188.951554 137.3
[M+NH4]+ 207.992653 154.8
[M+K]+ 228.921988 141.1
[M+H-H2O]+ 172.956090 129.0
[M+HCOO]- 234.957031 144.8
[M+CH3COO]- 248.972681 146.7
[M+Na-2H]- 210.933496 141.3
[M]+ 189.95828142 136.5
[M]- 189.95937858 136.5
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