CID 77689

4,4'-bis(2-bromoacetyl)biphenyl

Structural Information

Molecular Formula
C16H12Br2O2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)CBr)C(=O)CBr
InChI
InChI=1S/C16H12Br2O2/c17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18/h1-8H,9-10H2
InChIKey
RTSLQVZQORGDQQ-UHFFFAOYSA-N
Compound name
2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

269
Patents

393.9204 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.92768 162.4
[M+Na]+ 416.90962 158.2
[M+NH4]+ 411.95422 164.1
[M+K]+ 432.88356 164.0
[M-H]- 392.91312 164.1
[M+Na-2H]- 414.89507 164.9
[M]+ 393.91985 161.2
[M]- 393.92095 161.2
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