CID 2758035

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

Structural Information

Molecular Formula
C5H4Br2F6
SMILES
C(C(C(C(CBr)(F)F)(F)F)(F)F)Br
InChI
InChI=1S/C5H4Br2F6/c6-1-3(8,9)5(12,13)4(10,11)2-7/h1-2H2
InChIKey
QMSMXOXREPKYSH-UHFFFAOYSA-N
Compound name
1,5-dibromo-2,2,3,3,4,4-hexafluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

335.8584 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.86568 164.3
[M+Na]+ 358.84762 175.8
[M-H]- 334.85112 162.7
[M+NH4]+ 353.89222 181.7
[M+K]+ 374.82156 159.1
[M+H-H2O]+ 318.85566 168.8
[M+HCOO]- 380.85660 171.6
[M+CH3COO]- 394.87225 208.6
[M+Na-2H]- 356.83307 168.8
[M]+ 335.85785 190.0
[M]- 335.85895 190.0
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