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]+ 217.08348 136.0
[M+Na]+ 239.06542 144.7
[M-H]- 215.06892 138.4
[M+NH4]+ 234.11002 149.0
[M+K]+ 255.03936 141.0
[M+H-H2O]+ 199.07346 127.7
[M+HCOO]- 261.07440 153.1
[M+CH3COO]- 275.09005 186.9
[M+Na-2H]- 237.05087 143.3
[M]+ 216.07565 132.9
[M]- 216.07675 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.