CID 90359011

1-bromo-4-(1,1,2-trifluoroethyl)benzene

Structural Information

Molecular Formula
C8H6BrF3
SMILES
C1=CC(=CC=C1C(CF)(F)F)Br
InChI
InChI=1S/C8H6BrF3/c9-7-3-1-6(2-4-7)8(11,12)5-10/h1-4H,5H2
InChIKey
DGZWQEPASQUVJJ-UHFFFAOYSA-N
Compound name
1-bromo-4-(1,1,2-trifluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.9605 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96778 151.5
[M+Na]+ 260.94972 153.5
[M+NH4]+ 255.99432 155.1
[M+K]+ 276.92366 152.5
[M-H]- 236.95322 148.6
[M+Na-2H]- 258.93517 153.6
[M]+ 237.95995 149.8
[M]- 237.96105 149.8
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