CID 16217728

1,4-dicyclohexyl-2,5-diiodobenzene

Structural Information

Molecular Formula
C18H24I2
SMILES
C1CCC(CC1)C2=CC(=C(C=C2I)C3CCCCC3)I
InChI
InChI=1S/C18H24I2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h11-14H,1-10H2
InChIKey
VASMITRTCQRQGE-UHFFFAOYSA-N
Compound name
1,4-dicyclohexyl-2,5-diiodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.99677 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.00405 176.1
[M+Na]+ 516.98599 164.6
[M-H]- 492.98949 169.8
[M+NH4]+ 512.03059 180.8
[M+K]+ 532.95993 172.0
[M+H-H2O]+ 476.99403 161.7
[M+HCOO]- 538.99497 180.8
[M+CH3COO]- 553.01062 176.3
[M+Na-2H]- 514.97144 158.9
[M]+ 493.99622 163.2
[M]- 493.99732 163.2
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

No patent data available for this compound.