CID 11041134

705-97-5

Structural Information

Molecular Formula
C9H11FO2
SMILES
C1=CC=C(C=C1)OCC(CF)O
InChI
InChI=1S/C9H11FO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2
InChIKey
SXNKJLLKDWVVLG-UHFFFAOYSA-N
Compound name
1-fluoro-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.07431 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.081586 134.0
[M+Na]+ 193.063528 140.7
[M-H]- 169.067034 134.7
[M+NH4]+ 188.108133 153.5
[M+K]+ 209.037468 138.9
[M+H-H2O]+ 153.071570 127.4
[M+HCOO]- 215.072511 155.5
[M+CH3COO]- 229.088161 176.2
[M+Na-2H]- 191.048976 139.9
[M]+ 170.07376142 133.1
[M]- 170.07485858 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.