CID 46311671

1-bromo-4-(difluoromethyl)-2-fluorobenzene

Structural Information

Molecular Formula
C7H4BrF3
SMILES
C1=CC(=C(C=C1C(F)F)F)Br
InChI
InChI=1S/C7H4BrF3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,7H
InChIKey
TVFLYOWMGULWTE-UHFFFAOYSA-N
Compound name
1-bromo-4-(difluoromethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

223.94485 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95213 145.8
[M+Na]+ 246.93407 148.2
[M+NH4]+ 241.97867 149.5
[M+K]+ 262.90801 147.3
[M-H]- 222.93757 143.2
[M+Na-2H]- 244.91952 147.8
[M]+ 223.94430 144.2
[M]- 223.94540 144.2
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