CID 12742466

(3-chloropyridin-4-yl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

143.0138 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.021076 123.2
[M+Na]+ 166.003018 133.2
[M-H]- 142.006524 124.5
[M+NH4]+ 161.047623 143.9
[M+K]+ 181.976958 129.6
[M+H-H2O]+ 126.011060 118.4
[M+HCOO]- 188.012001 141.6
[M+CH3COO]- 202.027651 169.3
[M+Na-2H]- 163.988466 131.6
[M]+ 143.01325142 124.3
[M]- 143.01434858 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

No literature data available for this compound.

Patent stripe

patents stripe