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

38
Patents

243.9749 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98218 130.3
[M+Na]+ 266.96412 131.8
[M-H]- 242.96762 127.7
[M+NH4]+ 262.00872 149.9
[M+K]+ 282.93806 135.0
[M+H-H2O]+ 226.97216 121.8
[M+HCOO]- 288.97310 148.9
[M+CH3COO]- 302.98875 140.7
[M+Na-2H]- 264.94957 125.5
[M]+ 243.97435 126.3
[M]- 243.97545 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