CID 23503

4-isopropylbiphenyl

Structural Information

Molecular Formula
C15H16
SMILES
CC(C)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKey
KWSHGRJUSUJPQD-UHFFFAOYSA-N
Compound name
1-phenyl-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3962
Patents

196.1252 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.132476 143.7
[M+Na]+ 219.114418 150.7
[M-H]- 195.117924 150.4
[M+NH4]+ 214.159023 163.0
[M+K]+ 235.088358 147.1
[M+H-H2O]+ 179.122460 136.9
[M+HCOO]- 241.123401 166.9
[M+CH3COO]- 255.139051 187.2
[M+Na-2H]- 217.099866 149.5
[M]+ 196.12465142 143.0
[M]- 196.12574858 143.0
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