CID 69174

4-benzylbiphenyl

Structural Information

Molecular Formula
C19H16
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H16/c1-3-7-16(8-4-1)15-17-11-13-19(14-12-17)18-9-5-2-6-10-18/h1-14H,15H2
InChIKey
AGPLQTQFIZBOLI-UHFFFAOYSA-N
Compound name
1-benzyl-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5992
Patents

244.1252 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13248 156.3
[M+Na]+ 267.11442 163.1
[M-H]- 243.11792 165.6
[M+NH4]+ 262.15902 173.0
[M+K]+ 283.08836 157.3
[M+H-H2O]+ 227.12246 147.7
[M+HCOO]- 289.12340 180.3
[M+CH3COO]- 303.13905 168.7
[M+Na-2H]- 265.09987 163.4
[M]+ 244.12465 154.7
[M]- 244.12575 154.7
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