CID 1132853

436095-78-2

Structural Information

Molecular Formula
C9H9N3O3S2
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C2=NNC(=S)O2
InChI
InChI=1S/C9H9N3O3S2/c1-17(13,14)12-7-4-2-6(3-5-7)8-10-11-9(16)15-8/h2-5,12H,1H3,(H,11,16)
InChIKey
DHGOOCPNKFWIFL-UHFFFAOYSA-N
Compound name
N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.00854 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.01582 156.6
[M+Na]+ 293.99776 167.6
[M-H]- 270.00126 161.1
[M+NH4]+ 289.04236 170.8
[M+K]+ 309.97170 162.4
[M+H-H2O]+ 254.00580 150.5
[M+HCOO]- 316.00674 168.8
[M+CH3COO]- 330.02239 189.9
[M+Na-2H]- 291.98321 159.7
[M]+ 271.00799 159.1
[M]- 271.00909 159.1
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.