CID 3038272

6,8-dichloro-dihydro-1,3-benzoxazine-2-thione-4-one

Structural Information

Molecular Formula
C8H3Cl2NO2S
SMILES
C1=C(C=C(C2=C1C(=O)NC(=S)O2)Cl)Cl
InChI
InChI=1S/C8H3Cl2NO2S/c9-3-1-4-6(5(10)2-3)13-8(14)11-7(4)12/h1-2H,(H,11,12,14)
InChIKey
GJOVPZHWOJPTGZ-UHFFFAOYSA-N
Compound name
6,8-dichloro-2-sulfanylidene-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.92615 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.93343 146.1
[M+Na]+ 269.91537 163.1
[M+NH4]+ 264.95997 155.4
[M+K]+ 285.88931 153.4
[M-H]- 245.91887 149.4
[M+Na-2H]- 267.90082 152.1
[M]+ 246.92560 150.7
[M]- 246.92670 150.7
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.