CID 121514036

1-bromo-4-(bromomethyl)-2,3,5,6-tetrafluorobenzene

Structural Information

Molecular Formula
C7H2Br2F4
SMILES
C(C1=C(C(=C(C(=C1F)F)Br)F)F)Br
InChI
InChI=1S/C7H2Br2F4/c8-1-2-4(10)6(12)3(9)7(13)5(2)11/h1H2
InChIKey
WOPOBCPPAUSCFM-UHFFFAOYSA-N
Compound name
1-bromo-4-(bromomethyl)-2,3,5,6-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.84595 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.853226 145.5
[M+Na]+ 342.835168 159.4
[M-H]- 318.838674 149.2
[M+NH4]+ 337.879773 164.6
[M+K]+ 358.809108 142.8
[M+H-H2O]+ 302.843210 151.2
[M+HCOO]- 364.844151 159.1
[M+CH3COO]- 378.859801 208.2
[M+Na-2H]- 340.820616 149.5
[M]+ 319.84540142 175.9
[M]- 319.84649858 175.9
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