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

84
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 138.4
[M+Na]+ 225.04977 147.9
[M-H]- 201.05327 138.2
[M+NH4]+ 220.09437 160.2
[M+K]+ 241.02371 144.0
[M+H-H2O]+ 185.05781 131.6
[M+HCOO]- 247.05875 155.8
[M+CH3COO]- 261.07440 181.7
[M+Na-2H]- 223.03522 143.0
[M]+ 202.06000 133.1
[M]- 202.06110 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