CID 56587764

4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane

Structural Information

Molecular Formula
C5H3Br2F7
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)Br)Br
InChI
InChI=1S/C5H3Br2F7/c6-1-2(7)3(8,9)4(10,11)5(12,13)14/h2H,1H2
InChIKey
BTZKXQHJFPEDEC-UHFFFAOYSA-N
Compound name
4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

353.84897 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.85625 169.2
[M+Na]+ 376.83819 180.5
[M-H]- 352.84169 166.6
[M+NH4]+ 371.88279 185.9
[M+K]+ 392.81213 163.8
[M+H-H2O]+ 336.84623 172.9
[M+HCOO]- 398.84717 174.9
[M+CH3COO]- 412.86282 210.8
[M+Na-2H]- 374.82364 172.0
[M]+ 353.84842 192.9
[M]- 353.84952 192.9
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.