CID 22639368

332136-76-2

Structural Information

Molecular Formula
C12H4BrF21
SMILES
C(CBr)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H4BrF21/c13-2-1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)34/h1-2H2
InChIKey
FUNGIPYUUZNTQZ-UHFFFAOYSA-N
Compound name
12-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

625.9161 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.92338 203.1
[M+Na]+ 648.90532 207.8
[M-H]- 624.90882 209.8
[M+NH4]+ 643.94992 212.4
[M+K]+ 664.87926 218.4
[M+H-H2O]+ 608.91336 191.5
[M+HCOO]- 670.91430 221.0
[M+CH3COO]- 684.92995 250.5
[M+Na-2H]- 646.89077 202.2
[M]+ 625.91555 200.9
[M]- 625.91665 200.9
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