CID 79806

1-(4'-bromo(1,1'-biphenyl)-4-yl)ethan-1-one

Structural Information

Molecular Formula
C14H11BrO
SMILES
CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H11BrO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3
InChIKey
UUVKNCRMWPNBNM-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

291
Patents

273.99933 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00661 152.9
[M+Na]+ 296.98855 164.1
[M-H]- 272.99205 162.3
[M+NH4]+ 292.03315 172.8
[M+K]+ 312.96249 152.5
[M+H-H2O]+ 256.99659 152.4
[M+HCOO]- 318.99753 174.1
[M+CH3COO]- 333.01318 195.9
[M+Na-2H]- 294.97400 159.2
[M]+ 273.99878 171.5
[M]- 273.99988 171.5
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