CID 13691211

3-(4-fluorophenoxy)propan-1-ol

Structural Information

Molecular Formula
C9H11FO2
SMILES
C1=CC(=CC=C1OCCCO)F
InChI
InChI=1S/C9H11FO2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7H2
InChIKey
WRQULXUPZRAOHW-UHFFFAOYSA-N
Compound name
3-(4-fluorophenoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
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 133.0
[M+Na]+ 193.063528 140.9
[M-H]- 169.067034 134.0
[M+NH4]+ 188.108133 152.9
[M+K]+ 209.037468 138.7
[M+H-H2O]+ 153.071570 126.6
[M+HCOO]- 215.072511 155.5
[M+CH3COO]- 229.088161 176.5
[M+Na-2H]- 191.048976 139.4
[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

No literature data available for this compound.

Patent stripe

patents stripe