CID 123562

3,3'-diisopropylbiphenyl

Structural Information

Molecular Formula
C18H22
SMILES
CC(C)C1=CC=CC(=C1)C2=CC(=CC=C2)C(C)C
InChI
InChI=1S/C18H22/c1-13(2)15-7-5-9-17(11-15)18-10-6-8-16(12-18)14(3)4/h5-14H,1-4H3
InChIKey
PYXYYRWLLNHRLM-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-(3-propan-2-ylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

238.17215 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.179426 157.0
[M+Na]+ 261.161368 163.3
[M-H]- 237.164874 163.6
[M+NH4]+ 256.205973 174.8
[M+K]+ 277.135308 159.5
[M+H-H2O]+ 221.169410 149.8
[M+HCOO]- 283.170351 178.1
[M+CH3COO]- 297.186001 198.1
[M+Na-2H]- 259.146816 159.2
[M]+ 238.17160142 157.0
[M]- 238.17269858 157.0
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

patents stripe