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 141.5
[M+Na]+ 249.97968 153.4
[M-H]- 225.98318 143.2
[M+NH4]+ 245.02428 160.6
[M+K]+ 265.95362 147.0
[M+H-H2O]+ 209.98772 136.8
[M+HCOO]- 271.98866 153.3
[M+CH3COO]- 286.00431 154.6
[M+Na-2H]- 247.96513 148.6
[M]+ 226.98991 144.9
[M]- 226.99101 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.