CID 126961145

Chebi:177655

Structural Information

Molecular Formula
C19H33F3O2
SMILES
C(CCCCO)CCC/C=C\CCCCCCC(=O)CC(F)(F)F
InChI
InChI=1S/C19H33F3O2/c20-19(21,22)17-18(24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23/h1,3,23H,2,4-17H2/b3-1-
InChIKey
MRWIAFJLUOHGPO-IWQZZHSRSA-N
Compound name
(Z)-1,1,1-trifluoro-19-hydroxynonadec-10-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.24326 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.25054 190.3
[M+Na]+ 373.23248 192.7
[M-H]- 349.23598 182.9
[M+NH4]+ 368.27708 202.7
[M+K]+ 389.20642 187.4
[M+H-H2O]+ 333.24052 181.3
[M+HCOO]- 395.24146 203.4
[M+CH3COO]- 409.25711 213.7
[M+Na-2H]- 371.21793 187.6
[M]+ 350.24271 191.0
[M]- 350.24381 191.0
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.