CID 99445

4-quinolinol, 3-chloro-2-trichloromethyl-, methylcarbamate

Structural Information

Molecular Formula
C12H8Cl4N2O2
SMILES
CNC(=O)OC1=C(C(=NC2=CC=CC=C21)C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C12H8Cl4N2O2/c1-17-11(19)20-9-6-4-2-3-5-7(6)18-10(8(9)13)12(14,15)16/h2-5H,1H3,(H,17,19)
InChIKey
LSZWFTSRRVKZLC-UHFFFAOYSA-N
Compound name
[3-chloro-2-(trichloromethyl)quinolin-4-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.934 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.94128 174.2
[M+Na]+ 374.92322 188.6
[M+NH4]+ 369.96782 181.8
[M+K]+ 390.89716 180.6
[M-H]- 350.92672 175.1
[M+Na-2H]- 372.90867 179.7
[M]+ 351.93345 177.7
[M]- 351.93455 177.7
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.