CID 12679517

5-iodo-1h-indene

Structural Information

Molecular Formula
C9H7I
SMILES
C1C=CC2=C1C=CC(=C2)I
InChI
InChI=1S/C9H7I/c10-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2
InChIKey
NFZTUQLKJSBGFU-UHFFFAOYSA-N
Compound name
5-iodo-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

241.95924 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.96652 129.1
[M+Na]+ 264.94846 131.6
[M-H]- 240.95196 126.9
[M+NH4]+ 259.99306 148.9
[M+K]+ 280.92240 134.6
[M+H-H2O]+ 224.95650 120.7
[M+HCOO]- 286.95744 149.1
[M+CH3COO]- 300.97309 140.1
[M+Na-2H]- 262.93391 125.2
[M]+ 241.95869 126.5
[M]- 241.95979 126.5
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