CID 5177269

1,4-ditert-butyl-2,5-diiodobenzene

Structural Information

Molecular Formula
C14H20I2
SMILES
CC(C)(C)C1=CC(=C(C=C1I)C(C)(C)C)I
InChI
InChI=1S/C14H20I2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3
InChIKey
RFGPPZHYQDDSLB-UHFFFAOYSA-N
Compound name
1,4-ditert-butyl-2,5-diiodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.96545 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.97273 164.2
[M+Na]+ 464.95467 158.1
[M-H]- 440.95817 156.3
[M+NH4]+ 459.99927 172.7
[M+K]+ 480.92861 167.4
[M+H-H2O]+ 424.96271 153.5
[M+HCOO]- 486.96365 172.6
[M+CH3COO]- 500.97930 215.1
[M+Na-2H]- 462.94012 150.8
[M]+ 441.96490 161.0
[M]- 441.96600 161.0
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.