CID 11332468

(2-fluoropyridin-4-yl)methanol

Structural Information

Molecular Formula
C6H6FNO
SMILES
C1=CN=C(C=C1CO)F
InChI
InChI=1S/C6H6FNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2
InChIKey
IAFXOPAZVVMMLE-UHFFFAOYSA-N
Compound name
(2-fluoropyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

127.04334 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05062 120.3
[M+Na]+ 150.03256 129.6
[M-H]- 126.03606 120.4
[M+NH4]+ 145.07716 140.7
[M+K]+ 166.00650 127.6
[M+H-H2O]+ 110.04060 113.8
[M+HCOO]- 172.04154 142.3
[M+CH3COO]- 186.05719 168.0
[M+Na-2H]- 148.01801 128.6
[M]+ 127.04279 118.5
[M]- 127.04389 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