CID 137966048

(2s)-2-[3-(trifluoromethoxy)phenyl]propan-1-ol

Structural Information

Molecular Formula
C10H11F3O2
SMILES
C[C@H](CO)C1=CC(=CC=C1)OC(F)(F)F
InChI
InChI=1S/C10H11F3O2/c1-7(6-14)8-3-2-4-9(5-8)15-10(11,12)13/h2-5,7,14H,6H2,1H3/t7-/m1/s1
InChIKey
XYALWNOSLLNFIT-SSDOTTSWSA-N
Compound name
(2S)-2-[3-(trifluoromethoxy)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07112 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07840 143.6
[M+Na]+ 243.06034 151.4
[M-H]- 219.06384 142.1
[M+NH4]+ 238.10494 161.4
[M+K]+ 259.03428 149.0
[M+H-H2O]+ 203.06838 135.7
[M+HCOO]- 265.06932 161.0
[M+CH3COO]- 279.08497 185.7
[M+Na-2H]- 241.04579 147.7
[M]+ 220.07057 140.4
[M]- 220.07167 140.4
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.