CID 6454285

61792-21-0

Structural Information

Molecular Formula
C10H10N2O3S2
SMILES
CC1=NN(C(=O)C1)C2=CC=CC=C2S(=O)(=S)O
InChI
InChI=1S/C10H10N2O3S2/c1-7-6-10(13)12(11-7)8-4-2-3-5-9(8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)
InChIKey
SPXYWQWBBVADEU-UHFFFAOYSA-N
Compound name
2-(2-hydroxysulfonothioylphenyl)-5-methyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.01328 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.02056 160.0
[M+Na]+ 293.00250 170.9
[M+NH4]+ 288.04710 166.6
[M+K]+ 308.97644 164.3
[M-H]- 269.00600 160.6
[M+Na-2H]- 290.98795 163.9
[M]+ 270.01273 162.5
[M]- 270.01383 162.5
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.