CID 3704091

20842-60-8

Structural Information

Molecular Formula
C16H10Cl2N2O2
SMILES
C1=CC=C(C(=C1)NC(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)Cl
InChI
InChI=1S/C16H10Cl2N2O2/c17-11-7-8-14(15-10(11)4-3-9-19-15)22-16(21)20-13-6-2-1-5-12(13)18/h1-9H,(H,20,21)
InChIKey
KLNLWKDIPWGVHJ-UHFFFAOYSA-N
Compound name
(5-chloroquinolin-8-yl) N-(2-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.01193 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01921 170.1
[M+Na]+ 355.00115 180.2
[M-H]- 331.00465 175.8
[M+NH4]+ 350.04575 184.7
[M+K]+ 370.97509 173.5
[M+H-H2O]+ 315.00919 162.5
[M+HCOO]- 377.01013 183.1
[M+CH3COO]- 391.02578 181.3
[M+Na-2H]- 352.98660 176.2
[M]+ 332.01138 174.7
[M]- 332.01248 174.7
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.