CID 2736783

1,4-dibromooctafluorobutane

Structural Information

Molecular Formula
C4Br2F8
SMILES
C(C(C(F)(F)Br)(F)F)(C(F)(F)Br)(F)F
InChI
InChI=1S/C4Br2F8/c5-3(11,12)1(7,8)2(9,10)4(6,13)14
InChIKey
RWWUGYJWSVESJC-UHFFFAOYSA-N
Compound name
1,4-dibromo-1,1,2,2,3,3,4,4-octafluorobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

179
Patents

357.8239 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.83118 171.2
[M+Na]+ 380.81312 183.3
[M-H]- 356.81662 168.1
[M+NH4]+ 375.85772 187.6
[M+K]+ 396.78706 166.6
[M+H-H2O]+ 340.82116 174.6
[M+HCOO]- 402.82210 175.9
[M+CH3COO]- 416.83775 211.3
[M+Na-2H]- 378.79857 175.3
[M]+ 357.82335 193.2
[M]- 357.82445 193.2
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