CID 94474

Propane, 1,1,3,3-tetrabromo-1,2,2,3-tetrafluoro-

Structural Information

Molecular Formula
C3Br4F4
SMILES
C(C(F)(Br)Br)(C(F)(Br)Br)(F)F
InChI
InChI=1S/C3Br4F4/c4-2(5,10)1(8,9)3(6,7)11
InChIKey
UFNADSRPYOEKAI-UHFFFAOYSA-N
Compound name
1,1,3,3-tetrabromo-1,2,2,3-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

427.66696 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.67424 171.9
[M+Na]+ 450.65618 179.1
[M-H]- 426.65968 173.4
[M+NH4]+ 445.70078 182.1
[M+K]+ 466.63012 164.4
[M+H-H2O]+ 410.66422 188.3
[M+HCOO]- 472.66516 174.6
[M+CH3COO]- 486.68081 234.6
[M+Na-2H]- 448.64163 173.0
[M]+ 427.66641 206.8
[M]- 427.66751 206.8
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.