CID 14388170

1-cyclopropyl-2,2,2-trifluoro-1-phenylethan-1-ol

Structural Information

Molecular Formula
C11H11F3O
SMILES
C1CC1C(C2=CC=CC=C2)(C(F)(F)F)O
InChI
InChI=1S/C11H11F3O/c12-11(13,14)10(15,9-6-7-9)8-4-2-1-3-5-8/h1-5,9,15H,6-7H2
InChIKey
KRHLCHSAMBEJFD-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2,2,2-trifluoro-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0762 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.083476 136.0
[M+Na]+ 239.065418 144.7
[M-H]- 215.068924 138.4
[M+NH4]+ 234.110023 149.0
[M+K]+ 255.039358 141.0
[M+H-H2O]+ 199.073460 127.7
[M+HCOO]- 261.074401 153.1
[M+CH3COO]- 275.090051 186.9
[M+Na-2H]- 237.050866 143.3
[M]+ 216.07565142 132.9
[M]- 216.07674858 132.9
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

No patent data available for this compound.