CID 23239616

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

Structural Information

Molecular Formula
C9H9I
SMILES
C1C(CC2=CC=CC=C21)I
InChI
InChI=1S/C9H9I/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2
InChIKey
YNZOPWLGUDGAGY-UHFFFAOYSA-N
Compound name
2-iodo-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

243.9749 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe