CID 2762727

(4,6-dichloropyridin-3-yl)methanol

Structural Information

Molecular Formula
C6H5Cl2NO
SMILES
C1=C(C(=CN=C1Cl)CO)Cl
InChI
InChI=1S/C6H5Cl2NO/c7-5-1-6(8)9-2-4(5)3-10/h1-2,10H,3H2
InChIKey
VDXWCRIARMBDOX-UHFFFAOYSA-N
Compound name
(4,6-dichloropyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

176.97482 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98210 128.2
[M+Na]+ 199.96404 139.3
[M-H]- 175.96754 129.0
[M+NH4]+ 195.00864 148.1
[M+K]+ 215.93798 134.4
[M+H-H2O]+ 159.97208 124.2
[M+HCOO]- 221.97302 141.4
[M+CH3COO]- 235.98867 175.3
[M+Na-2H]- 197.94949 135.0
[M]+ 176.97427 130.6
[M]- 176.97537 130.6
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

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