CID 20060210

(5,6-dichloropyridin-2-yl)methanol

Structural Information

Molecular Formula
C6H5Cl2NO
SMILES
C1=CC(=C(N=C1CO)Cl)Cl
InChI
InChI=1S/C6H5Cl2NO/c7-5-2-1-4(3-10)9-6(5)8/h1-2,10H,3H2
InChIKey
GQGAIINAEFCDJC-UHFFFAOYSA-N
Compound name
(5,6-dichloropyridin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe