CID 20735

Meso-2,3-diphenylbutane

Structural Information

Molecular Formula
C16H18
SMILES
CC(C1=CC=CC=C1)C(C)C2=CC=CC=C2
InChI
InChI=1S/C16H18/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKey
NGCFVIRRWORSML-UHFFFAOYSA-N
Compound name
3-phenylbutan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1047
Patents

210.14085 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14813 149.2
[M+Na]+ 233.13007 154.4
[M-H]- 209.13357 155.3
[M+NH4]+ 228.17467 167.4
[M+K]+ 249.10401 151.0
[M+H-H2O]+ 193.13811 141.9
[M+HCOO]- 255.13905 170.9
[M+CH3COO]- 269.15470 189.9
[M+Na-2H]- 231.11552 153.8
[M]+ 210.14030 147.7
[M]- 210.14140 147.7
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