CID 12412284

1188265-13-5

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 135.4
[M+Na]+ 284.93829 136.4
[M-H]- 260.94179 133.9
[M+NH4]+ 279.98289 149.9
[M+K]+ 300.91223 142.8
[M+H-H2O]+ 244.94633 126.2
[M+HCOO]- 306.94727 150.7
[M+CH3COO]- 320.96292 145.3
[M+Na-2H]- 282.92374 133.9
[M]+ 261.94852 132.8
[M]- 261.94962 132.8
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