CID 91222569

1-(bromodifluoromethyl)-4-fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.94485 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95213 138.1
[M+Na]+ 246.93407 151.0
[M-H]- 222.93757 141.2
[M+NH4]+ 241.97867 160.1
[M+K]+ 262.90801 139.6
[M+H-H2O]+ 206.94211 136.8
[M+HCOO]- 268.94305 156.2
[M+CH3COO]- 282.95870 185.6
[M+Na-2H]- 244.91952 146.0
[M]+ 223.94430 152.3
[M]- 223.94540 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe