CID 46311668

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

Structural Information

Molecular Formula
C7H4BrF3
SMILES
C1=CC(=C(C=C1F)C(F)F)Br
InChI
InChI=1S/C7H4BrF3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,7H
InChIKey
XCLIWLPXTOXVAA-UHFFFAOYSA-N
Compound name
1-bromo-2-(difluoromethyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
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 136.9
[M+Na]+ 246.93407 150.0
[M-H]- 222.93757 140.1
[M+NH4]+ 241.97867 159.0
[M+K]+ 262.90801 138.7
[M+H-H2O]+ 206.94211 135.3
[M+HCOO]- 268.94305 155.6
[M+CH3COO]- 282.95870 187.1
[M+Na-2H]- 244.91952 142.5
[M]+ 223.94430 151.4
[M]- 223.94540 151.4
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