CID 10680826

2,6-dichloroquinoline-3-methanol

Structural Information

Molecular Formula
C10H7Cl2NO
SMILES
C1=CC2=NC(=C(C=C2C=C1Cl)CO)Cl
InChI
InChI=1S/C10H7Cl2NO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-4,14H,5H2
InChIKey
RGVUMJRZROPQIV-UHFFFAOYSA-N
Compound name
(2,6-dichloroquinolin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99046 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.997736 141.5
[M+Na]+ 249.979678 153.4
[M-H]- 225.983184 143.2
[M+NH4]+ 245.024283 160.6
[M+K]+ 265.953618 147.0
[M+H-H2O]+ 209.987720 136.8
[M+HCOO]- 271.988661 153.3
[M+CH3COO]- 286.004311 154.6
[M+Na-2H]- 247.965126 148.6
[M]+ 226.98991142 144.9
[M]- 226.99100858 144.9
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

No patent data available for this compound.