CID 67058205

(s)-4-trifluoromethyl-indan-1-ol

Structural Information

Molecular Formula
C10H9F3O
SMILES
C1CC2=C([C@H]1O)C=CC=C2C(F)(F)F
InChI
InChI=1S/C10H9F3O/c11-10(12,13)8-3-1-2-7-6(8)4-5-9(7)14/h1-3,9,14H,4-5H2/t9-/m0/s1
InChIKey
WYRONQVMJMJUKG-VIFPVBQESA-N
Compound name
(1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

202.06055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06783 145.2
[M+Na]+ 225.04977 153.8
[M+NH4]+ 220.09437 151.9
[M+K]+ 241.02371 150.0
[M-H]- 201.05327 142.2
[M+Na-2H]- 223.03522 147.9
[M]+ 202.06000 145.3
[M]- 202.06110 145.3
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