CID 211903

3-pyridinemethanol, 5-fluoro-, acetate

Structural Information

Molecular Formula
C8H8FNO2
SMILES
CC(=O)OCC1=CC(=CN=C1)F
InChI
InChI=1S/C8H8FNO2/c1-6(11)12-5-7-2-8(9)4-10-3-7/h2-4H,5H2,1H3
InChIKey
NBPSPDCMZDNUQE-UHFFFAOYSA-N
Compound name
(5-fluoro-3-pyridinyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05391 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.061186 131.2
[M+Na]+ 192.043128 140.1
[M-H]- 168.046634 132.5
[M+NH4]+ 187.087733 150.5
[M+K]+ 208.017068 138.9
[M+H-H2O]+ 152.051170 124.0
[M+HCOO]- 214.052111 153.5
[M+CH3COO]- 228.067761 178.1
[M+Na-2H]- 190.028576 137.6
[M]+ 169.05336142 132.0
[M]- 169.05445858 132.0
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.