CID 92046

56181-67-0

Structural Information

Molecular Formula
C22H19Br
SMILES
C1C(CC2=CC=CC=C2C1Br)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H19Br/c23-22-15-20(14-19-8-4-5-9-21(19)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,20,22H,14-15H2
InChIKey
VLTQDLHIBNGGAL-UHFFFAOYSA-N
Compound name
1-bromo-3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.06702 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.074296 183.1
[M+Na]+ 385.056238 191.9
[M-H]- 361.059744 194.8
[M+NH4]+ 380.100843 199.7
[M+K]+ 401.030178 178.6
[M+H-H2O]+ 345.064280 180.8
[M+HCOO]- 407.065221 200.3
[M+CH3COO]- 421.080871 195.0
[M+Na-2H]- 383.041686 188.0
[M]+ 362.06647142 197.6
[M]- 362.06756858 197.6
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

No patent data available for this compound.