CID 85118

15811-52-6

Structural Information

Molecular Formula
C13F26O
SMILES
C(=O)(C(C(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)F)(F)F)F
InChI
InChI=1S/C13F26O/c14-1(40)2(15,16)4(18,19)6(22,23)8(26,27)10(30,31)11(32,33)9(28,29)7(24,25)5(20,21)3(17,12(34,35)36)13(37,38)39
InChIKey
KRIKPLSQWRBSRS-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

665.95337 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 666.96065 191.2
[M+Na]+ 688.94259 195.5
[M-H]- 664.94609 202.8
[M+NH4]+ 683.98719 203.8
[M+K]+ 704.91653 209.0
[M+H-H2O]+ 648.95063 179.0
[M+HCOO]- 710.95157 208.4
[M+CH3COO]- 724.96722 258.3
[M+Na-2H]- 686.92804 193.5
[M]+ 665.95282 189.0
[M]- 665.95392 189.0
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

No patent data available for this compound.