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

65
Patents

184.08995 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09723 138.7
[M+Na]+ 207.07917 144.9
[M-H]- 183.08267 139.2
[M+NH4]+ 202.12377 157.7
[M+K]+ 223.05311 142.9
[M+H-H2O]+ 167.08721 131.9
[M+HCOO]- 229.08815 159.8
[M+CH3COO]- 243.10380 179.3
[M+Na-2H]- 205.06462 144.0
[M]+ 184.08940 138.2
[M]- 184.09050 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