CID 66632403

3-(bromodifluoromethyl)fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

223.94485 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95213 147.3
[M+Na]+ 246.93407 149.5
[M+NH4]+ 241.97867 151.0
[M+K]+ 262.90801 148.7
[M-H]- 222.93757 144.4
[M+Na-2H]- 244.91952 149.6
[M]+ 223.94430 145.6
[M]- 223.94540 145.6
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