CID 485504

6-chloro-3-(3-chloro-phenyl)-4-thioxo-3,4-dihydro-benzo[e][1,3]oxazin-2-one

Structural Information

Molecular Formula
C14H7Cl2NO2S
SMILES
C1=CC(=CC(=C1)Cl)N2C(=S)C3=C(C=CC(=C3)Cl)OC2=O
InChI
InChI=1S/C14H7Cl2NO2S/c15-8-2-1-3-10(6-8)17-13(20)11-7-9(16)4-5-12(11)19-14(17)18/h1-7H
InChIKey
WGJGHQAQJIRDKO-UHFFFAOYSA-N
Compound name
6-chloro-3-(3-chlorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.95746 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.96474 163.7
[M+Na]+ 345.94668 178.0
[M-H]- 321.95018 171.6
[M+NH4]+ 340.99128 179.1
[M+K]+ 361.92062 171.4
[M+H-H2O]+ 305.95472 157.8
[M+HCOO]- 367.95566 171.8
[M+CH3COO]- 381.97131 176.7
[M+Na-2H]- 343.93213 168.0
[M]+ 322.95691 171.6
[M]- 322.95801 171.6
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

No patent data available for this compound.