CID 67859

Nsc 72338

Structural Information

Molecular Formula
C9H11FO3
SMILES
C1=CC=C(C(=C1)OC(CO)CO)F
InChI
InChI=1S/C9H11FO3/c10-8-3-1-2-4-9(8)13-7(5-11)6-12/h1-4,7,11-12H,5-6H2
InChIKey
LZJGDUHUWGECJU-UHFFFAOYSA-N
Compound name
2-(2-fluorophenoxy)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06923 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07651 137.0
[M+Na]+ 209.05845 144.1
[M-H]- 185.06195 136.7
[M+NH4]+ 204.10305 155.4
[M+K]+ 225.03239 142.0
[M+H-H2O]+ 169.06649 130.7
[M+HCOO]- 231.06743 157.2
[M+CH3COO]- 245.08308 176.8
[M+Na-2H]- 207.04390 141.6
[M]+ 186.06868 136.0
[M]- 186.06978 136.1
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.