CID 14993426

1-bromoperfluoropentane

Structural Information

Molecular Formula
C5BrF11
SMILES
C(C(C(F)(F)F)(F)F)(C(C(F)(F)Br)(F)F)(F)F
InChI
InChI=1S/C5BrF11/c6-4(13,14)2(9,10)1(7,8)3(11,12)5(15,16)17
InChIKey
GUCKQLMUYQSSMF-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

347.90076 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.90804 171.2
[M+Na]+ 370.88998 184.2
[M-H]- 346.89348 162.5
[M+NH4]+ 365.93458 187.0
[M+K]+ 386.86392 172.3
[M+H-H2O]+ 330.89802 164.6
[M+HCOO]- 392.89896 174.2
[M+CH3COO]- 406.91461 207.3
[M+Na-2H]- 368.87543 175.1
[M]+ 347.90021 171.5
[M]- 347.90131 171.5
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

patents stripe