CID 2734576

1,1,1-trifluoro-2-phenylbut-3-en-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

13
Patents

202.06055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06783 147.8
[M+Na]+ 225.04977 156.4
[M+NH4]+ 220.09437 153.2
[M+K]+ 241.02371 151.4
[M-H]- 201.05327 143.9
[M+Na-2H]- 223.03522 151.9
[M]+ 202.06000 147.7
[M]- 202.06110 147.7
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