CID 15392524

204201-52-5

Structural Information

Molecular Formula
C9H11FO2
SMILES
C1=CC(=CC=C1C(CO)CO)F
InChI
InChI=1S/C9H11FO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8,11-12H,5-6H2
InChIKey
PFYTWIIZQFTTOS-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

170.07431 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.081586 134.0
[M+Na]+ 193.063528 141.2
[M-H]- 169.067034 133.7
[M+NH4]+ 188.108133 153.1
[M+K]+ 209.037468 138.6
[M+H-H2O]+ 153.071570 128.0
[M+HCOO]- 215.072511 154.0
[M+CH3COO]- 229.088161 174.8
[M+Na-2H]- 191.048976 138.7
[M]+ 170.07376142 131.6
[M]- 170.07485858 131.6
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