CID 10949657

1,2,4,5-tetrabromo-3-fluorobenzene

Structural Information

Molecular Formula
C6HBr4F
SMILES
C1=C(C(=C(C(=C1Br)Br)F)Br)Br
InChI
InChI=1S/C6HBr4F/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey
CWUMVTAGPWQJFY-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrabromo-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

407.67957 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.68685 144.8
[M+Na]+ 430.66879 152.2
[M-H]- 406.67229 148.9
[M+NH4]+ 425.71339 155.9
[M+K]+ 446.64273 138.9
[M+H-H2O]+ 390.67683 163.0
[M+HCOO]- 452.67777 150.9
[M+CH3COO]- 466.69342 234.2
[M+Na-2H]- 428.65424 147.9
[M]+ 407.67902 182.9
[M]- 407.68012 182.9
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