CID 270393

Nsc112801

Structural Information

Molecular Formula
C9H10N2O2S2
SMILES
C1CN=C(N1)SS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C9H10N2O2S2/c12-15(13,8-4-2-1-3-5-8)14-9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
InChIKey
ACLRUKBIVJYLFC-UHFFFAOYSA-N
Compound name
2-(benzenesulfonylsulfanyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

242.01837 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02565 151.3
[M+Na]+ 265.00759 160.6
[M-H]- 241.01109 154.3
[M+NH4]+ 260.05219 168.0
[M+K]+ 280.98153 155.3
[M+H-H2O]+ 225.01563 145.2
[M+HCOO]- 287.01657 161.7
[M+CH3COO]- 301.03222 180.9
[M+Na-2H]- 262.99304 153.1
[M]+ 242.01782 151.4
[M]- 242.01892 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.