CID 131587309

1-bromo-2-chloro-3-(chloromethyl)-5-fluorobenzene

Structural Information

Molecular Formula
C7H4BrCl2F
SMILES
C1=C(C=C(C(=C1CCl)Cl)Br)F
InChI
InChI=1S/C7H4BrCl2F/c8-6-2-5(11)1-4(3-9)7(6)10/h1-2H,3H2
InChIKey
NAUXMGDULXVLDJ-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-3-(chloromethyl)-5-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.88576 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.893036 136.8
[M+Na]+ 278.874978 152.5
[M-H]- 254.878484 142.0
[M+NH4]+ 273.919583 159.5
[M+K]+ 294.848918 138.2
[M+H-H2O]+ 238.883020 138.6
[M+HCOO]- 300.883961 149.3
[M+CH3COO]- 314.899611 190.1
[M+Na-2H]- 276.860426 143.6
[M]+ 255.88521142 157.1
[M]- 255.88630858 157.1
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.