CID 152449

22620-32-2

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-fluoro-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

174
Patents

127.04334 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.050616 120.3
[M+Na]+ 150.032558 129.6
[M-H]- 126.036064 120.4
[M+NH4]+ 145.077163 140.7
[M+K]+ 166.006498 127.6
[M+H-H2O]+ 110.040600 113.8
[M+HCOO]- 172.041541 142.3
[M+CH3COO]- 186.057191 168.0
[M+Na-2H]- 148.018006 128.6
[M]+ 127.04279142 118.5
[M]- 127.04388858 118.5
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