CID 108437

Einecs 262-162-0

Structural Information

Molecular Formula
C22H17BrO
SMILES
C1C(CC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C22H17BrO/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/h1-12,19H,13-14H2
InChIKey
ZBXFXJMMCQYFJR-UHFFFAOYSA-N
Compound name
3-[4-(4-bromophenyl)phenyl]-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

376.0463 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.05358 185.0
[M+Na]+ 399.03552 194.7
[M-H]- 375.03902 197.1
[M+NH4]+ 394.08012 201.2
[M+K]+ 415.00946 181.6
[M+H-H2O]+ 359.04356 182.6
[M+HCOO]- 421.04450 202.5
[M+CH3COO]- 435.06015 197.1
[M+Na-2H]- 397.02097 189.3
[M]+ 376.04575 200.5
[M]- 376.04685 200.5
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