CID 22630519

213207-95-5

Structural Information

Molecular Formula
C15H22BrF9
SMILES
C(CCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCCCBr
InChI
InChI=1S/C15H22BrF9/c16-11-9-7-5-3-1-2-4-6-8-10-12(17,18)13(19,20)14(21,22)15(23,24)25/h1-11H2
InChIKey
HIEQJDKWJZYMQM-UHFFFAOYSA-N
Compound name
15-bromo-1,1,1,2,2,3,3,4,4-nonafluoropentadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

452.0761 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.08338 208.9
[M+Na]+ 475.06532 217.9
[M-H]- 451.06882 200.3
[M+NH4]+ 470.10992 221.5
[M+K]+ 491.03926 203.7
[M+H-H2O]+ 435.07336 201.8
[M+HCOO]- 497.07430 212.2
[M+CH3COO]- 511.08995 227.8
[M+Na-2H]- 473.05077 208.3
[M]+ 452.07555 216.6
[M]- 452.07665 216.6
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

patents stripe