CID 225990

1,1,1-trichloro-3-(quinolin-2-yl)propan-2-ol

Structural Information

Molecular Formula
C12H10Cl3NO
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C12H10Cl3NO/c13-12(14,15)11(17)7-9-6-5-8-3-1-2-4-10(8)16-9/h1-6,11,17H,7H2
InChIKey
NZHSXBNFZVWFFB-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-3-quinolin-2-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

288.9828 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.99008 161.0
[M+Na]+ 311.97202 176.2
[M+NH4]+ 307.01662 169.9
[M+K]+ 327.94596 167.8
[M-H]- 287.97552 162.4
[M+Na-2H]- 309.95747 167.9
[M]+ 288.98225 164.6
[M]- 288.98335 164.6
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

patents stripe