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

15
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 139.2
[M+Na]+ 225.04977 147.2
[M-H]- 201.05327 137.6
[M+NH4]+ 220.09437 157.6
[M+K]+ 241.02371 143.5
[M+H-H2O]+ 185.05781 132.0
[M+HCOO]- 247.05875 156.0
[M+CH3COO]- 261.07440 181.2
[M+Na-2H]- 223.03522 146.0
[M]+ 202.06000 133.6
[M]- 202.06110 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