CID 12040726

2-bromo-4'-(trifluoromethyl)-1,1'-biphenyl

Structural Information

Molecular Formula
C13H8BrF3
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)Br
InChI
InChI=1S/C13H8BrF3/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15,16)17/h1-8H
InChIKey
ISNRIDMBTQIKJT-UHFFFAOYSA-N
Compound name
1-bromo-2-[4-(trifluoromethyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

299.97614 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98342 160.2
[M+Na]+ 322.96536 172.6
[M-H]- 298.96886 166.0
[M+NH4]+ 318.00996 179.2
[M+K]+ 338.93930 159.8
[M+H-H2O]+ 282.97340 157.7
[M+HCOO]- 344.97434 177.8
[M+CH3COO]- 358.98999 198.7
[M+Na-2H]- 320.95081 166.4
[M]+ 299.97559 174.5
[M]- 299.97669 174.5
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

patents stripe