CID 11615453

1-(3-(trifluoromethyl)phenyl)but-3-en-1-ol

Structural Information

Molecular Formula
C11H11F3O
SMILES
C=CCC(C1=CC(=CC=C1)C(F)(F)F)O
InChI
InChI=1S/C11H11F3O/c1-2-4-10(15)8-5-3-6-9(7-8)11(12,13)14/h2-3,5-7,10,15H,1,4H2
InChIKey
ITTIGOPRDIDCRE-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]but-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

216.0762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.083476 143.5
[M+Na]+ 239.065418 151.3
[M-H]- 215.068924 141.9
[M+NH4]+ 234.110023 161.5
[M+K]+ 255.039358 147.5
[M+H-H2O]+ 199.073460 135.8
[M+HCOO]- 261.074401 160.6
[M+CH3COO]- 275.090051 185.8
[M+Na-2H]- 237.050866 147.1
[M]+ 216.07565142 138.6
[M]- 216.07674858 138.6
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