CID 81440797

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

Structural Information

Molecular Formula
C8H7BrClF
SMILES
C1=CC(=C(C=C1CCCl)F)Br
InChI
InChI=1S/C8H7BrClF/c9-7-2-1-6(3-4-10)5-8(7)11/h1-2,5H,3-4H2
InChIKey
LVXYFXJLTFWKOM-UHFFFAOYSA-N
Compound name
1-bromo-4-(2-chloroethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.94037 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.947646 137.9
[M+Na]+ 258.929588 151.8
[M-H]- 234.933094 143.3
[M+NH4]+ 253.974193 160.7
[M+K]+ 274.903528 138.6
[M+H-H2O]+ 218.937630 138.7
[M+HCOO]- 280.938571 154.9
[M+CH3COO]- 294.954221 187.5
[M+Na-2H]- 256.915036 145.3
[M]+ 235.93982142 157.5
[M]- 235.94091858 157.5
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.