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]+ 227.99774 142.2
[M+Na]+ 249.97968 159.2
[M+NH4]+ 245.02428 152.2
[M+K]+ 265.95362 150.4
[M-H]- 225.98318 145.0
[M+Na-2H]- 247.96513 150.2
[M]+ 226.98991 146.2
[M]- 226.99101 146.2
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.