CID 86017153

Dtxsid401032739

Structural Information

Molecular Formula
C12H7F19O
SMILES
C(CC(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)CO
InChI
InChI=1S/C12H7F19O/c13-4(14,2-1-3-32)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h32H,1-3H2
InChIKey
STEOKYVBFQEJHA-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

528.01935 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.02663 170.7
[M+Na]+ 551.00857 175.0
[M-H]- 527.01207 176.9
[M+NH4]+ 546.05317 178.5
[M+K]+ 566.98251 184.8
[M+H-H2O]+ 511.01661 158.6
[M+HCOO]- 573.01755 189.6
[M+CH3COO]- 587.03320 240.4
[M+Na-2H]- 548.99402 169.8
[M]+ 528.01880 168.7
[M]- 528.01990 168.7
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