CID 82758132

(1r)-1-(2,4,6-trifluorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H7F3O
SMILES
C[C@H](C1=C(C=C(C=C1F)F)F)O
InChI
InChI=1S/C8H7F3O/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-4,12H,1H3/t4-/m1/s1
InChIKey
DMGIAUMXLVQIHA-SCSAIBSYSA-N
Compound name
(1R)-1-(2,4,6-trifluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.0449 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05218 129.4
[M+Na]+ 199.03412 139.5
[M-H]- 175.03762 128.8
[M+NH4]+ 194.07872 149.6
[M+K]+ 215.00806 136.7
[M+H-H2O]+ 159.04216 122.2
[M+HCOO]- 221.04310 148.9
[M+CH3COO]- 235.05875 180.3
[M+Na-2H]- 197.01957 132.7
[M]+ 176.04435 125.5
[M]- 176.04545 125.5
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.