CID 15084162

5-iodo-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H9I
SMILES
C1CC2=C(C1)C=C(C=C2)I
InChI
InChI=1S/C9H9I/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
InChIKey
BDFQJOIAYXQHQR-UHFFFAOYSA-N
Compound name
5-iodo-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

243.9749 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.982176 130.3
[M+Na]+ 266.964118 131.8
[M-H]- 242.967624 127.7
[M+NH4]+ 262.008723 149.9
[M+K]+ 282.938058 135.0
[M+H-H2O]+ 226.972160 121.8
[M+HCOO]- 288.973101 148.9
[M+CH3COO]- 302.988751 140.7
[M+Na-2H]- 264.949566 125.5
[M]+ 243.97435142 126.3
[M]- 243.97544858 126.3
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