CID 2763167

(4-chloropyridin-2-yl)methanol

Structural Information

Molecular Formula
C6H6ClNO
SMILES
C1=CN=C(C=C1Cl)CO
InChI
InChI=1S/C6H6ClNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
InChIKey
UEAIOHHGRGSGGJ-UHFFFAOYSA-N
Compound name
(4-chloropyridin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

498
Patents

143.0138 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 123.2
[M+Na]+ 166.00302 133.2
[M-H]- 142.00652 124.5
[M+NH4]+ 161.04762 143.9
[M+K]+ 181.97696 129.6
[M+H-H2O]+ 126.01106 118.4
[M+HCOO]- 188.01200 141.6
[M+CH3COO]- 202.02765 169.3
[M+Na-2H]- 163.98847 131.6
[M]+ 143.01325 124.3
[M]- 143.01435 124.3
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