CID 4962284

5-chloro-7-(chloromethyl)-2,3-dihydro-1,4-benzodioxine

Structural Information

Molecular Formula
C9H8Cl2O2
SMILES
C1COC2=C(O1)C=C(C=C2Cl)CCl
InChI
InChI=1S/C9H8Cl2O2/c10-5-6-3-7(11)9-8(4-6)12-1-2-13-9/h3-4H,1-2,5H2
InChIKey
NRKPLPNTCNHLKZ-UHFFFAOYSA-N
Compound name
5-chloro-7-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99013 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.997406 140.7
[M+Na]+ 240.979348 150.5
[M-H]- 216.982854 145.7
[M+NH4]+ 236.023953 159.2
[M+K]+ 256.953288 148.1
[M+H-H2O]+ 200.987390 136.6
[M+HCOO]- 262.988331 151.0
[M+CH3COO]- 277.003981 154.1
[M+Na-2H]- 238.964796 149.0
[M]+ 217.98958142 144.4
[M]- 217.99067858 144.4
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.