CID 85068

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-octadecafluoro-9-(trifluoromethyl)decanoyl fluoride

Structural Information

Molecular Formula
C11F22O
SMILES
C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C11F22O/c12-1(34)2(13,14)4(16,17)6(20,21)8(24,25)9(26,27)7(22,23)5(18,19)3(15,10(28,29)30)11(31,32)33
InChIKey
YEONIHINJPEQCM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-octadecafluoro-9-(trifluoromethyl)decanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

565.9598 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.96708 175.3
[M+Na]+ 588.94902 180.7
[M-H]- 564.95252 185.1
[M+NH4]+ 583.99362 187.0
[M+K]+ 604.92296 191.7
[M+H-H2O]+ 548.95706 164.1
[M+HCOO]- 610.95800 193.8
[M+CH3COO]- 624.97365 246.6
[M+Na-2H]- 586.93447 176.9
[M]+ 565.95925 173.4
[M]- 565.96035 173.4
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

No patent data available for this compound.