CID 171338309

2-bromo-4'-fluoro-5-iodo-1,1'-biphenyl

Structural Information

Molecular Formula
C12H7BrFI
SMILES
C1=CC(=CC=C1C2=C(C=CC(=C2)I)Br)F
InChI
InChI=1S/C12H7BrFI/c13-12-6-5-10(15)7-11(12)8-1-3-9(14)4-2-8/h1-7H
InChIKey
ATXOFRNZXFCIMC-UHFFFAOYSA-N
Compound name
1-bromo-2-(4-fluorophenyl)-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.87598 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.88326 156.6
[M+Na]+ 398.86520 162.4
[M-H]- 374.86870 157.9
[M+NH4]+ 393.90980 172.2
[M+K]+ 414.83914 156.1
[M+H-H2O]+ 358.87324 151.9
[M+HCOO]- 420.87418 172.9
[M+CH3COO]- 434.88983 202.1
[M+Na-2H]- 396.85065 152.1
[M]+ 375.87543 170.3
[M]- 375.87653 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.