CID 53428088

37027-49-9

Structural Information

Molecular Formula
C7H8BrF7O
SMILES
C(CCBr)COC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7H8BrF7O/c8-3-1-2-4-16-5(9,6(10,11)12)7(13,14)15/h1-4H2
InChIKey
GELXZLDTAYMMSK-UHFFFAOYSA-N
Compound name
1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

319.96466 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.97194 166.5
[M+Na]+ 342.95388 178.2
[M-H]- 318.95738 161.2
[M+NH4]+ 337.99848 184.3
[M+K]+ 358.92782 166.5
[M+H-H2O]+ 302.96192 162.0
[M+HCOO]- 364.96286 176.0
[M+CH3COO]- 378.97851 201.5
[M+Na-2H]- 340.93933 170.8
[M]+ 319.96411 176.5
[M]- 319.96521 176.5
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.