CID 12412284

5-iodo-2,3-dihydrobenzo[b][1,4]dioxine

Structural Information

Molecular Formula
C8H7IO2
SMILES
C1COC2=C(O1)C=CC=C2I
InChI
InChI=1S/C8H7IO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2
InChIKey
AMHRMPQYBWNDML-UHFFFAOYSA-N
Compound name
5-iodo-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

261.94907 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.95635 135.7
[M+Na]+ 284.93829 142.2
[M+NH4]+ 279.98289 141.3
[M+K]+ 300.91223 139.3
[M-H]- 260.94179 135.1
[M+Na-2H]- 282.92374 129.6
[M]+ 261.94852 135.5
[M]- 261.94962 135.5
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

patents stripe