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

11
Patents

212.06195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 143.0
[M+Na]+ 235.05117 150.9
[M-H]- 211.05467 145.5
[M+NH4]+ 230.09577 160.5
[M+K]+ 251.02511 146.9
[M+H-H2O]+ 195.05921 136.0
[M+HCOO]- 257.06015 156.4
[M+CH3COO]- 271.07580 154.6
[M+Na-2H]- 233.03662 147.8
[M]+ 212.06140 139.7
[M]- 212.06250 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