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

2
Patents

647.8816 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.88888 203.1
[M+Na]+ 670.87082 207.5
[M-H]- 646.87432 211.3
[M+NH4]+ 665.91542 213.1
[M+K]+ 686.84476 218.9
[M+H-H2O]+ 630.87886 191.2
[M+HCOO]- 692.87980 221.0
[M+CH3COO]- 706.89545 252.3
[M+Na-2H]- 668.85627 203.4
[M]+ 647.88105 201.0
[M]- 647.88215 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