CID 86661427

1355157-49-1

Structural Information

Molecular Formula
C8H3BrF6
SMILES
C1=CC(=C(C=C1Br)F)C(C(F)(F)F)(F)F
InChI
InChI=1S/C8H3BrF6/c9-4-1-2-5(6(10)3-4)7(11,12)8(13,14)15/h1-3H
InChIKey
LKUCYHXKELZTRV-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-1-(1,1,2,2,2-pentafluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

291.93222 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.939496 155.5
[M+Na]+ 314.921438 169.3
[M-H]- 290.924944 155.2
[M+NH4]+ 309.966043 174.9
[M+K]+ 330.895378 156.8
[M+H-H2O]+ 274.929480 151.8
[M+HCOO]- 336.930421 168.6
[M+CH3COO]- 350.946071 197.4
[M+Na-2H]- 312.906886 160.5
[M]+ 291.93167142 165.7
[M]- 291.93276858 165.7
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