CID 45075722

Perfluoro(1-bromo-3-oxa-4-methylpentane)

Structural Information

Molecular Formula
C5BrF11O
SMILES
C(C(F)(F)F)(C(F)(F)F)(OC(C(F)(F)Br)(F)F)F
InChI
InChI=1S/C5BrF11O/c6-2(8,9)5(16,17)18-1(7,3(10,11)12)4(13,14)15
InChIKey
NNJIYASXBPPIGU-UHFFFAOYSA-N
Compound name
2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

363.8957 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.90298 174.0
[M+Na]+ 386.88492 187.0
[M-H]- 362.88842 165.3
[M+NH4]+ 381.92952 189.4
[M+K]+ 402.85886 175.5
[M+H-H2O]+ 346.89296 167.3
[M+HCOO]- 408.89390 177.2
[M+CH3COO]- 422.90955 208.4
[M+Na-2H]- 384.87037 178.2
[M]+ 363.89515 175.6
[M]- 363.89625 175.6
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.