CID 165795770

1-bromo-2-fluoro-3-(pentafluoroethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.93222 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.93950 155.5
[M+Na]+ 314.92144 169.3
[M-H]- 290.92494 155.2
[M+NH4]+ 309.96604 174.9
[M+K]+ 330.89538 156.8
[M+H-H2O]+ 274.92948 151.8
[M+HCOO]- 336.93042 168.6
[M+CH3COO]- 350.94607 197.4
[M+Na-2H]- 312.90689 160.5
[M]+ 291.93167 165.7
[M]- 291.93277 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

No patent data available for this compound.