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

0
Patents

319.84595 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.85323 145.5
[M+Na]+ 342.83517 159.4
[M-H]- 318.83867 149.2
[M+NH4]+ 337.87977 164.6
[M+K]+ 358.80911 142.8
[M+H-H2O]+ 302.84321 151.2
[M+HCOO]- 364.84415 159.1
[M+CH3COO]- 378.85980 208.2
[M+Na-2H]- 340.82062 149.5
[M]+ 319.84540 175.9
[M]- 319.84650 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

No patent data available for this compound.