CID 11412509

1-(4-fluorophenyl)ethane-1,2-diol

Structural Information

Molecular Formula
C8H9FO2
SMILES
C1=CC(=CC=C1C(CO)O)F
InChI
InChI=1S/C8H9FO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2
InChIKey
NAALXDNDAVNHAC-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

156.05865 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.065926 129.3
[M+Na]+ 179.047868 137.0
[M-H]- 155.051374 129.2
[M+NH4]+ 174.092473 149.0
[M+K]+ 195.021808 134.6
[M+H-H2O]+ 139.055910 123.5
[M+HCOO]- 201.056851 149.6
[M+CH3COO]- 215.072501 171.7
[M+Na-2H]- 177.033316 134.5
[M]+ 156.05810142 126.5
[M]- 156.05919858 126.5
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

patents stripe