CID 478901

4-benzoyl-4'-bromobiphenyl

Structural Information

Molecular Formula
C19H13BrO
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H13BrO/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13H
InChIKey
ITMLYLPKSFZCJK-UHFFFAOYSA-N
Compound name
[4-(4-bromophenyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

148
Patents

336.01498 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02226 171.4
[M+Na]+ 359.00420 181.4
[M-H]- 335.00770 183.1
[M+NH4]+ 354.04880 188.2
[M+K]+ 374.97814 168.9
[M+H-H2O]+ 319.01224 169.7
[M+HCOO]- 381.01318 192.1
[M+CH3COO]- 395.02883 184.8
[M+Na-2H]- 356.98965 177.1
[M]+ 336.01443 188.9
[M]- 336.01553 188.9
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