CID 2734576

1,1,1-trifluoro-2-phenyl-3-buten-2-ol

Structural Information

Molecular Formula
C10H9F3O
SMILES
C=CC(C1=CC=CC=C1)(C(F)(F)F)O
InChI
InChI=1S/C10H9F3O/c1-2-9(14,10(11,12)13)8-6-4-3-5-7-8/h2-7,14H,1H2
InChIKey
QZTXJLLJGFCKCH-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-phenylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

202.06055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.067826 139.2
[M+Na]+ 225.049768 147.2
[M-H]- 201.053274 137.6
[M+NH4]+ 220.094373 157.6
[M+K]+ 241.023708 143.5
[M+H-H2O]+ 185.057810 132.0
[M+HCOO]- 247.058751 156.0
[M+CH3COO]- 261.074401 181.2
[M+Na-2H]- 223.035216 146.0
[M]+ 202.06000142 133.6
[M]- 202.06109858 133.6
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