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

1
Patents

219.96992 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97720 141.4
[M+Na]+ 242.95914 143.6
[M+NH4]+ 238.00374 145.9
[M+K]+ 258.93308 143.2
[M-H]- 218.96264 139.9
[M+Na-2H]- 240.94459 144.4
[M]+ 219.96937 140.0
[M]- 219.97047 140.0
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