CID 478904

[4-(4-bromophenyl)phenyl]-(4-iodophenyl)methanone

Structural Information

Molecular Formula
C19H12BrIO
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)I
InChI
InChI=1S/C19H12BrIO/c20-17-9-5-14(6-10-17)13-1-3-15(4-2-13)19(22)16-7-11-18(21)12-8-16/h1-12H
InChIKey
BHMCWWVYLQFBNJ-UHFFFAOYSA-N
Compound name
[4-(4-bromophenyl)phenyl]-(4-iodophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

461.91162 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.91890 183.5
[M+Na]+ 484.90084 186.9
[M-H]- 460.90434 187.6
[M+NH4]+ 479.94544 194.9
[M+K]+ 500.87478 180.2
[M+H-H2O]+ 444.90888 177.6
[M+HCOO]- 506.90982 198.8
[M+CH3COO]- 520.92547 192.1
[M+Na-2H]- 482.88629 176.9
[M]+ 461.91107 197.5
[M]- 461.91217 197.5
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

No patent data available for this compound.