CID 102527312

(1s)-1-(2,4,5-trifluorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H7F3O
SMILES
C[C@@H](C1=CC(=C(C=C1F)F)F)O
InChI
InChI=1S/C8H7F3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-4,12H,1H3/t4-/m0/s1
InChIKey
RIRHPWCWRLZXAM-BYPYZUCNSA-N
Compound name
(1S)-1-(2,4,5-trifluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

176.0449 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.052176 129.4
[M+Na]+ 199.034118 139.5
[M-H]- 175.037624 128.8
[M+NH4]+ 194.078723 149.6
[M+K]+ 215.008058 136.7
[M+H-H2O]+ 159.042160 122.2
[M+HCOO]- 221.043101 148.9
[M+CH3COO]- 235.058751 180.3
[M+Na-2H]- 197.019566 132.7
[M]+ 176.04435142 125.5
[M]- 176.04544858 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

patents stripe