CID 11379882

2,3-dihydro-7-iodoinden-1-one

Structural Information

Molecular Formula
C9H7IO
SMILES
C1CC(=O)C2=C1C=CC=C2I
InChI
InChI=1S/C9H7IO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
InChIKey
NKVIZRKBYNZSAX-UHFFFAOYSA-N
Compound name
7-iodo-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

257.95416 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96144 132.2
[M+Na]+ 280.94338 134.7
[M-H]- 256.94688 130.0
[M+NH4]+ 275.98798 151.4
[M+K]+ 296.91732 137.9
[M+H-H2O]+ 240.95142 123.9
[M+HCOO]- 302.95236 151.1
[M+CH3COO]- 316.96801 184.2
[M+Na-2H]- 278.92883 126.7
[M]+ 257.95361 129.3
[M]- 257.95471 129.3
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