CID 72775812

89678-08-0

Structural Information

Molecular Formula
C7H7IO3
SMILES
C1C2C3C(C(C1O3)I)OC2=O
InChI
InChI=1S/C7H7IO3/c8-4-3-1-2-5(10-3)6(4)11-7(2)9/h2-6H,1H2
InChIKey
RKMPAOIJAUYXRD-UHFFFAOYSA-N
Compound name
2-iodo-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.944 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.95128 129.6
[M+Na]+ 288.93322 132.5
[M-H]- 264.93672 127.9
[M+NH4]+ 283.97782 151.1
[M+K]+ 304.90716 138.6
[M+H-H2O]+ 248.94126 125.1
[M+HCOO]- 310.94220 144.8
[M+CH3COO]- 324.95785 140.8
[M+Na-2H]- 286.91867 123.5
[M]+ 265.94345 130.3
[M]- 265.94455 130.3
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

No patent data available for this compound.