CID 6914422

7-chloro-1-(2,4-dichlorobenzoyl)-2,3-dihydro-4(1h)-quinolinone-4-oxime-o-sulfonic acid k salt

Structural Information

Molecular Formula
C16H11Cl3N2O5S
SMILES
C\1CN(C2=C(/C1=N\OS(=O)(=O)O)C=CC(=C2)Cl)C(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H11Cl3N2O5S/c17-9-1-3-11(13(19)7-9)16(22)21-6-5-14(20-26-27(23,24)25)12-4-2-10(18)8-15(12)21/h1-4,7-8H,5-6H2,(H,23,24,25)/b20-14-
InChIKey
YDSDZCVWVBNDEY-ZHZULCJRSA-N
Compound name
[(Z)-[7-chloro-1-(2,4-dichlorobenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.94543 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.95271 188.9
[M+Na]+ 470.93465 198.4
[M-H]- 446.93815 194.4
[M+NH4]+ 465.97925 199.7
[M+K]+ 486.90859 192.9
[M+H-H2O]+ 430.94269 183.9
[M+HCOO]- 492.94363 188.8
[M+CH3COO]- 506.95928 223.3
[M+Na-2H]- 468.92010 191.0
[M]+ 447.94488 195.7
[M]- 447.94598 195.7
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.