CID 57474824

1-cyclopentyl-2-iodobenzene

Structural Information

Molecular Formula
C11H13I
SMILES
C1CCC(C1)C2=CC=CC=C2I
InChI
InChI=1S/C11H13I/c12-11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKey
FURLICLVZFURQK-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

272.0062 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.01348 141.9
[M+Na]+ 294.99542 141.5
[M-H]- 270.99892 140.9
[M+NH4]+ 290.04002 159.0
[M+K]+ 310.96936 144.5
[M+H-H2O]+ 255.00346 132.3
[M+HCOO]- 317.00440 159.9
[M+CH3COO]- 331.02005 186.4
[M+Na-2H]- 292.98087 134.2
[M]+ 272.00565 135.9
[M]- 272.00675 135.9
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