CID 73794

1559-88-2

Structural Information

Molecular Formula
C6HBrF4
SMILES
C1=C(C(=C(C(=C1F)F)Br)F)F
InChI
InChI=1S/C6HBrF4/c7-4-5(10)2(8)1-3(9)6(4)11/h1H
InChIKey
YHAFCGSUIAFUCX-UHFFFAOYSA-N
Compound name
3-bromo-1,2,4,5-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

286
Patents

227.91978 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.92706 134.2
[M+Na]+ 250.90900 149.6
[M-H]- 226.91250 136.8
[M+NH4]+ 245.95360 156.6
[M+K]+ 266.88294 137.7
[M+H-H2O]+ 210.91704 132.1
[M+HCOO]- 272.91798 153.0
[M+CH3COO]- 286.93363 188.3
[M+Na-2H]- 248.89445 139.6
[M]+ 227.91923 148.3
[M]- 227.92033 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe