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]+ 240.922576 138.5
[M+Na]+ 262.904518 152.4
[M-H]- 238.908024 142.8
[M+NH4]+ 257.949123 160.9
[M+K]+ 278.878458 139.4
[M+H-H2O]+ 222.912560 138.8
[M+HCOO]- 284.913501 153.3
[M+CH3COO]- 298.929151 186.5
[M+Na-2H]- 260.889966 146.9
[M]+ 239.91475142 155.8
[M]- 239.91584858 155.8
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.