CID 152449

(5-fluoropyridin-3-yl)methanol

Structural Information

Molecular Formula
C6H6FNO
SMILES
C1=C(C=NC=C1F)CO
InChI
InChI=1S/C6H6FNO/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4H2
InChIKey
GGGJYJXAFSEWNM-UHFFFAOYSA-N
Compound name
(5-fluoropyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

168
Patents

127.04334 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05062 122.2
[M+Na]+ 150.03256 134.9
[M+NH4]+ 145.07716 130.3
[M+K]+ 166.00650 128.8
[M-H]- 126.03606 122.3
[M+Na-2H]- 148.01801 129.3
[M]+ 127.04279 123.9
[M]- 127.04389 123.9
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

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