CID 100942918

(2s)-1-(benzyloxy)-3-fluoropropan-2-ol

Structural Information

Molecular Formula
C10H13FO2
SMILES
C1=CC=C(C=C1)COC[C@@H](CF)O
InChI
InChI=1S/C10H13FO2/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-/m1/s1
InChIKey
AYJCILKNFDTXGM-SNVBAGLBSA-N
Compound name
(2S)-1-fluoro-3-phenylmethoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

184.08995 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.097226 138.7
[M+Na]+ 207.079168 144.9
[M-H]- 183.082674 139.2
[M+NH4]+ 202.123773 157.7
[M+K]+ 223.053108 142.9
[M+H-H2O]+ 167.087210 131.9
[M+HCOO]- 229.088151 159.8
[M+CH3COO]- 243.103801 179.3
[M+Na-2H]- 205.064616 144.0
[M]+ 184.08940142 138.2
[M]- 184.09049858 138.2
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