CID 199404

Brn 0794133

Structural Information

Molecular Formula
C10H8BrNOS2
SMILES
C1CSC(=S)N(C1=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H8BrNOS2/c11-7-1-3-8(4-2-7)12-9(13)5-6-15-10(12)14/h1-4H,5-6H2
InChIKey
MQGNHIDBFJUWTC-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.92307 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.93035 137.6
[M+Na]+ 323.91229 150.3
[M-H]- 299.91579 145.6
[M+NH4]+ 318.95689 156.6
[M+K]+ 339.88623 136.6
[M+H-H2O]+ 283.92033 138.3
[M+HCOO]- 345.92127 146.7
[M+CH3COO]- 359.93692 152.0
[M+Na-2H]- 321.89774 141.0
[M]+ 300.92252 155.0
[M]- 300.92362 155.0
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.