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]+ 217.08348 143.5
[M+Na]+ 239.06542 151.3
[M-H]- 215.06892 141.9
[M+NH4]+ 234.11002 161.5
[M+K]+ 255.03936 147.5
[M+H-H2O]+ 199.07346 135.8
[M+HCOO]- 261.07440 160.6
[M+CH3COO]- 275.09005 185.8
[M+Na-2H]- 237.05087 147.1
[M]+ 216.07565 138.6
[M]- 216.07675 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