CID 11086556

5-(iodomethyl)-1,3-dioxaindane

Structural Information

Molecular Formula
C8H7IO2
SMILES
C1OC2=C(O1)C=C(C=C2)CI
InChI
InChI=1S/C8H7IO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5H2
InChIKey
WDXDADIIMNGABI-UHFFFAOYSA-N
Compound name
5-(iodomethyl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

261.94907 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.95635 136.3
[M+Na]+ 284.93829 141.7
[M+NH4]+ 279.98289 141.6
[M+K]+ 300.91223 140.8
[M-H]- 260.94179 134.9
[M+Na-2H]- 282.92374 129.1
[M]+ 261.94852 135.7
[M]- 261.94962 135.7
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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