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 140.5
[M+Na]+ 269.91537 154.4
[M-H]- 245.91887 144.1
[M+NH4]+ 264.95997 158.4
[M+K]+ 285.88931 148.6
[M+H-H2O]+ 229.92341 137.0
[M+HCOO]- 291.92435 147.7
[M+CH3COO]- 305.94000 154.2
[M+Na-2H]- 267.90082 145.8
[M]+ 246.92560 146.2
[M]- 246.92670 146.2
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

patents stripe