CID 2778823

2250-36-4

Structural Information

Molecular Formula
C8H5BrF4
SMILES
C1=CC(=CC=C1C(F)F)C(F)(F)Br
InChI
InChI=1S/C8H5BrF4/c9-8(12,13)6-3-1-5(2-4-6)7(10)11/h1-4,7H
InChIKey
UMPAJVIZHYIUJM-UHFFFAOYSA-N
Compound name
1-[bromo(difluoro)methyl]-4-(difluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

255.95108 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95836 158.4
[M+Na]+ 278.94030 159.3
[M+NH4]+ 273.98490 160.8
[M+K]+ 294.91424 158.6
[M-H]- 254.94380 154.0
[M+Na-2H]- 276.92575 159.1
[M]+ 255.95053 156.1
[M]- 255.95163 156.1
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