CID 71357156

2-phenyl-1lambda6,2,6-thiadiazinane-1,1-dione

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
C1CNS(=O)(=O)N(C1)C2=CC=CC=C2
InChI
InChI=1S/C9H12N2O2S/c12-14(13)10-7-4-8-11(14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey
ZQCQDGZDUZMHLS-UHFFFAOYSA-N
Compound name
2-phenyl-1,2,6-thiadiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.06195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 143.0
[M+Na]+ 235.051168 150.9
[M-H]- 211.054674 145.5
[M+NH4]+ 230.095773 160.5
[M+K]+ 251.025108 146.9
[M+H-H2O]+ 195.059210 136.0
[M+HCOO]- 257.060151 156.4
[M+CH3COO]- 271.075801 154.6
[M+Na-2H]- 233.036616 147.8
[M]+ 212.06140142 139.7
[M]- 212.06249858 139.7
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

patents stripe