CID 45075673

Perfluoro(1,2-dibromo-4-oxapentane)

Structural Information

Molecular Formula
C4Br2F8O
SMILES
C(C(OC(F)(F)F)(F)F)(C(F)(F)Br)(F)Br
InChI
InChI=1S/C4Br2F8O/c5-1(7,2(6,8)9)3(10,11)15-4(12,13)14
InChIKey
XBBIHHOYLHDMRA-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,1,2,3,3-pentafluoro-3-(trifluoromethoxy)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

373.81882 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.82610 173.4
[M+Na]+ 396.80804 185.4
[M-H]- 372.81154 170.2
[M+NH4]+ 391.85264 189.3
[M+K]+ 412.78198 169.0
[M+H-H2O]+ 356.81608 176.6
[M+HCOO]- 418.81702 178.2
[M+CH3COO]- 432.83267 212.2
[M+Na-2H]- 394.79349 177.5
[M]+ 373.81827 196.4
[M]- 373.81937 196.4
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.