CID 85989610

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.96992 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.977196 139.9
[M+Na]+ 242.959138 150.4
[M-H]- 218.962644 143.5
[M+NH4]+ 238.003743 161.5
[M+K]+ 258.933078 139.8
[M+H-H2O]+ 202.967180 138.7
[M+HCOO]- 264.968121 158.2
[M+CH3COO]- 278.983771 186.0
[M+Na-2H]- 240.944586 145.7
[M]+ 219.96937142 154.5
[M]- 219.97046858 154.5
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