CID 14935728

1-bromo-3-(chlorodifluoromethyl)benzene

Structural Information

Molecular Formula
C7H4BrClF2
SMILES
C1=CC(=CC(=C1)Br)C(F)(F)Cl
InChI
InChI=1S/C7H4BrClF2/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKey
RQRRWEDEGRHMIH-UHFFFAOYSA-N
Compound name
1-bromo-3-[chloro(difluoro)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.9153 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.92258 143.6
[M+Na]+ 262.90452 147.3
[M+NH4]+ 257.94912 148.5
[M+K]+ 278.87846 146.1
[M-H]- 238.90802 142.1
[M+Na-2H]- 260.88997 147.2
[M]+ 239.91475 142.8
[M]- 239.91585 142.8
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

No patent data available for this compound.