CID 3034466

Triisopropylbiphenyl

Structural Information

Molecular Formula
C21H28
SMILES
CC(C)C1=C(C(=C(C=C1)C2=CC=CC=C2)C(C)C)C(C)C
InChI
InChI=1S/C21H28/c1-14(2)18-12-13-19(17-10-8-7-9-11-17)21(16(5)6)20(18)15(3)4/h7-16H,1-6H3
InChIKey
YYKBFGMYHQMXIL-UHFFFAOYSA-N
Compound name
1-phenyl-2,3,4-tri(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1050
Patents

280.2191 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22638 169.6
[M+Na]+ 303.20832 175.2
[M-H]- 279.21182 176.1
[M+NH4]+ 298.25292 185.9
[M+K]+ 319.18226 171.3
[M+H-H2O]+ 263.21636 162.2
[M+HCOO]- 325.21730 188.6
[M+CH3COO]- 339.23295 209.1
[M+Na-2H]- 301.19377 168.3
[M]+ 280.21855 170.5
[M]- 280.21965 170.5
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