CID 15084165

1-cyclohexyl-4-iodobenzene

Structural Information

Molecular Formula
C12H15I
SMILES
C1CCC(CC1)C2=CC=C(C=C2)I
InChI
InChI=1S/C12H15I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKey
SXHDBSAHBVKKOF-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

286.02185 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.02913 145.7
[M+Na]+ 309.01107 143.8
[M-H]- 285.01457 144.0
[M+NH4]+ 304.05567 160.3
[M+K]+ 324.98501 146.6
[M+H-H2O]+ 269.01911 135.3
[M+HCOO]- 331.02005 161.2
[M+CH3COO]- 345.03570 189.6
[M+Na-2H]- 306.99652 138.9
[M]+ 286.02130 137.8
[M]- 286.02240 137.8
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