CID 67058205

(1s)-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

91
Patents

202.06055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.067826 138.4
[M+Na]+ 225.049768 147.9
[M-H]- 201.053274 138.2
[M+NH4]+ 220.094373 160.2
[M+K]+ 241.023708 144.0
[M+H-H2O]+ 185.057810 131.6
[M+HCOO]- 247.058751 155.8
[M+CH3COO]- 261.074401 181.7
[M+Na-2H]- 223.035216 143.0
[M]+ 202.06000142 133.1
[M]- 202.06109858 133.1
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