CID 5230287

26309-99-9

Structural Information

Molecular Formula
C9H9ClO2
SMILES
C1COC2=C(O1)C=CC(=C2)CCl
InChI
InChI=1S/C9H9ClO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6H2
InChIKey
HARUWJZORCBAAL-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

184.02911 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 133.4
[M+Na]+ 207.01833 148.6
[M+NH4]+ 202.06293 143.8
[M+K]+ 222.99227 141.3
[M-H]- 183.02183 139.4
[M+Na-2H]- 205.00378 140.1
[M]+ 184.02856 137.8
[M]- 184.02966 137.8
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

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