CID 64867735

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

Structural Information

Molecular Formula
C8H7Br2F
SMILES
C1=CC(=C(C=C1Br)F)CCBr
InChI
InChI=1S/C8H7Br2F/c9-4-3-6-1-2-7(10)5-8(6)11/h1-2,5H,3-4H2
InChIKey
XLTQGHZKORGTAS-UHFFFAOYSA-N
Compound name
4-bromo-1-(2-bromoethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

279.88986 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.897136 138.1
[M+Na]+ 302.879078 149.8
[M-H]- 278.882584 144.2
[M+NH4]+ 297.923683 158.2
[M+K]+ 318.853018 134.2
[M+H-H2O]+ 262.887120 146.0
[M+HCOO]- 324.888061 154.2
[M+CH3COO]- 338.903711 201.5
[M+Na-2H]- 300.864526 145.4
[M]+ 279.88931142 171.3
[M]- 279.89040858 171.3
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

patents stripe