CID 14993427

Perfluoroundecyl bromide

Structural Information

Molecular Formula
C11BrF23
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11BrF23/c12-10(31,32)8(27,28)6(23,24)4(19,20)2(15,16)1(13,14)3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35
InChIKey
UBWIFQLGAHSKNN-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

647.8816 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.888876 203.1
[M+Na]+ 670.870818 207.5
[M-H]- 646.874324 211.3
[M+NH4]+ 665.915423 213.1
[M+K]+ 686.844758 218.9
[M+H-H2O]+ 630.878860 191.2
[M+HCOO]- 692.879801 221.0
[M+CH3COO]- 706.895451 252.3
[M+Na-2H]- 668.856266 203.4
[M]+ 647.88105142 201.0
[M]- 647.88214858 201.0
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