CID 3061150

9-chloro-2,3-dihydro-5h,10bh-thiazolo(3,2-c)(1,3)benzoxazine-5-thione

Structural Information

Molecular Formula
C10H8ClNOS2
SMILES
C1CSC2N1C(=S)OC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C10H8ClNOS2/c11-6-1-2-8-7(5-6)9-12(3-4-15-9)10(14)13-8/h1-2,5,9H,3-4H2
InChIKey
OOJKBTXHXXXRKH-UHFFFAOYSA-N
Compound name
9-chloro-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.97357 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.98085 148.5
[M+Na]+ 279.96279 159.8
[M-H]- 255.96629 153.4
[M+NH4]+ 275.00739 169.1
[M+K]+ 295.93673 155.2
[M+H-H2O]+ 239.97083 145.3
[M+HCOO]- 301.97177 152.7
[M+CH3COO]- 315.98742 161.1
[M+Na-2H]- 277.94824 150.5
[M]+ 256.97302 151.6
[M]- 256.97412 151.6
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