CID 57709

2-methyl-6,7-dichloro-1,4-benzodioxin

Structural Information

Molecular Formula
C9H6Cl2O2
SMILES
CC1=COC2=CC(=C(C=C2O1)Cl)Cl
InChI
InChI=1S/C9H6Cl2O2/c1-5-4-12-8-2-6(10)7(11)3-9(8)13-5/h2-4H,1H3
InChIKey
YKJSLNHOYZCUHS-UHFFFAOYSA-N
Compound name
6,7-dichloro-3-methyl-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.97449 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98177 138.9
[M+Na]+ 238.96371 150.8
[M-H]- 214.96721 144.7
[M+NH4]+ 234.00831 157.9
[M+K]+ 254.93765 148.3
[M+H-H2O]+ 198.97175 135.1
[M+HCOO]- 260.97269 150.7
[M+CH3COO]- 274.98834 153.3
[M+Na-2H]- 236.94916 147.6
[M]+ 215.97394 144.6
[M]- 215.97504 144.6
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.