CID 71656141

1,3-dibromo-5-(2,2,2-trifluoroethyl)benzene

Structural Information

Molecular Formula
C8H5Br2F3
SMILES
C1=C(C=C(C=C1Br)Br)CC(F)(F)F
InChI
InChI=1S/C8H5Br2F3/c9-6-1-5(2-7(10)3-6)4-8(11,12)13/h1-3H,4H2
InChIKey
NPLOOFANXFUISM-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-(2,2,2-trifluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.871 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.87828 150.6
[M+Na]+ 338.86022 162.7
[M-H]- 314.86372 154.7
[M+NH4]+ 333.90482 169.4
[M+K]+ 354.83416 146.4
[M+H-H2O]+ 298.86826 157.2
[M+HCOO]- 360.86920 163.6
[M+CH3COO]- 374.88485 205.5
[M+Na-2H]- 336.84567 156.5
[M]+ 315.87045 181.2
[M]- 315.87155 181.2
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.