CID 7062237

100704-10-7

Structural Information

Molecular Formula
C6H6ClNO
SMILES
C1=CN=C(C=C1CO)Cl
InChI
InChI=1S/C6H6ClNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2
InChIKey
UDDVPFLXGOBESH-UHFFFAOYSA-N
Compound name
(2-chloropyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

705
Patents

143.0138 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 123.5
[M+Na]+ 166.00302 138.1
[M+NH4]+ 161.04762 132.8
[M+K]+ 181.97696 131.1
[M-H]- 142.00652 125.3
[M+Na-2H]- 163.98847 131.6
[M]+ 143.01325 126.4
[M]- 143.01435 126.4
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