CID 582947

5-iodo-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C10H11I
SMILES
C1CCC2=C(C1)C=CC=C2I
InChI
InChI=1S/C10H11I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
InChIKey
FBCNACVFOFCZHW-UHFFFAOYSA-N
Compound name
5-iodo-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

257.99054 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99782 133.6
[M+Na]+ 280.97976 133.6
[M-H]- 256.98326 130.4
[M+NH4]+ 276.02436 150.7
[M+K]+ 296.95370 136.7
[M+H-H2O]+ 240.98780 124.4
[M+HCOO]- 302.98874 149.7
[M+CH3COO]- 317.00439 142.9
[M+Na-2H]- 278.96521 129.7
[M]+ 257.98999 127.8
[M]- 257.99109 127.8
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

patents stripe