CID 73793

1,3-dibromotetrafluorobenzene

Structural Information

Molecular Formula
C6Br2F4
SMILES
C1(=C(C(=C(C(=C1F)Br)F)Br)F)F
InChI
InChI=1S/C6Br2F4/c7-1-3(9)2(8)5(11)6(12)4(1)10
InChIKey
UCWKDDQEZQRGDR-UHFFFAOYSA-N
Compound name
1,3-dibromo-2,4,5,6-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

291
Patents

305.8303 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.83758 141.2
[M+Na]+ 328.81952 155.5
[M-H]- 304.82302 145.1
[M+NH4]+ 323.86412 160.7
[M+K]+ 344.79346 139.1
[M+H-H2O]+ 288.82756 147.1
[M+HCOO]- 350.82850 155.1
[M+CH3COO]- 364.84415 205.9
[M+Na-2H]- 326.80497 145.7
[M]+ 305.82975 171.4
[M]- 305.83085 171.4
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