CID 130139388

1-bromo-5-(1-bromoethyl)-2,4-difluorobenzene

Structural Information

Molecular Formula
C8H6Br2F2
SMILES
CC(C1=CC(=C(C=C1F)F)Br)Br
InChI
InChI=1S/C8H6Br2F2/c1-4(9)5-2-6(10)8(12)3-7(5)11/h2-4H,1H3
InChIKey
CILPFKVLJFXECC-UHFFFAOYSA-N
Compound name
1-bromo-5-(1-bromoethyl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.88043 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.88771 143.1
[M+Na]+ 320.86965 155.2
[M-H]- 296.87315 148.3
[M+NH4]+ 315.91425 162.6
[M+K]+ 336.84359 139.4
[M+H-H2O]+ 280.87769 150.2
[M+HCOO]- 342.87863 157.4
[M+CH3COO]- 356.89428 205.1
[M+Na-2H]- 318.85510 148.1
[M]+ 297.87988 175.0
[M]- 297.88098 175.0
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.