CID 70825422

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

Structural Information

Molecular Formula
C8H7BrF2
SMILES
C1=CC(=CC=C1CC(F)F)Br
InChI
InChI=1S/C8H7BrF2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,8H,5H2
InChIKey
ZKYYBCSAJYZLDL-UHFFFAOYSA-N
Compound name
1-bromo-4-(2,2-difluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.96992 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.977196 138.5
[M+Na]+ 242.959138 150.2
[M-H]- 218.962644 142.5
[M+NH4]+ 238.003743 160.6
[M+K]+ 258.933078 139.1
[M+H-H2O]+ 202.967180 137.5
[M+HCOO]- 264.968121 157.8
[M+CH3COO]- 278.983771 186.2
[M+Na-2H]- 240.944586 144.9
[M]+ 219.96937142 154.1
[M]- 219.97046858 154.1
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