CID 92048

3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol

Structural Information

Molecular Formula
C22H19BrO
SMILES
C1C(CC2=CC=CC=C2C1O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C22H19BrO/c23-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(24)14-19/h1-12,19,22,24H,13-14H2
InChIKey
LGYMGAWTNGCUFA-UHFFFAOYSA-N
Compound name
3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

378.06192 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.06920 186.5
[M+Na]+ 401.05114 195.4
[M-H]- 377.05464 197.2
[M+NH4]+ 396.09574 202.0
[M+K]+ 417.02508 182.0
[M+H-H2O]+ 361.05918 184.3
[M+HCOO]- 423.06012 202.4
[M+CH3COO]- 437.07577 197.9
[M+Na-2H]- 399.03659 190.4
[M]+ 378.06137 201.0
[M]- 378.06247 201.0
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