CID 44630148

4-tert-butyl-4'-iodobiphenyl

Structural Information

Molecular Formula
C16H17I
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)I
InChI
InChI=1S/C16H17I/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h4-11H,1-3H3
InChIKey
HPIHETXXQCHXAU-UHFFFAOYSA-N
Compound name
1-tert-butyl-4-(4-iodophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

336.0375 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04478 161.6
[M+Na]+ 359.02672 162.3
[M-H]- 335.03022 160.9
[M+NH4]+ 354.07132 175.0
[M+K]+ 375.00066 164.1
[M+H-H2O]+ 319.03476 151.2
[M+HCOO]- 381.03570 178.3
[M+CH3COO]- 395.05135 200.8
[M+Na-2H]- 357.01217 155.3
[M]+ 336.03695 158.9
[M]- 336.03805 158.9
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