CID 3706633

Benzenesulfonamidothiourea

Structural Information

Molecular Formula
C7H9N3O2S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NNC(=S)N
InChI
InChI=1S/C7H9N3O2S2/c8-7(13)9-10-14(11,12)6-4-2-1-3-5-6/h1-5,10H,(H3,8,9,13)
InChIKey
JWPWVPPTDSULMI-UHFFFAOYSA-N
Compound name
benzenesulfonamidothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

199
References

24
Patents

231.01363 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02091 145.5
[M+Na]+ 254.00285 151.6
[M-H]- 230.00635 147.8
[M+NH4]+ 249.04745 162.1
[M+K]+ 269.97679 146.3
[M+H-H2O]+ 214.01089 138.6
[M+HCOO]- 276.01183 159.7
[M+CH3COO]- 290.02748 190.2
[M+Na-2H]- 251.98830 149.6
[M]+ 231.01308 143.4
[M]- 231.01418 143.4
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

patents stripe