CID 10149355

171967-86-5

Structural Information

Molecular Formula
C4H7ClN4O4S2
SMILES
CN(C)S(=O)(=O)N1C=NC(=N1)S(=O)(=O)Cl
InChI
InChI=1S/C4H7ClN4O4S2/c1-8(2)15(12,13)9-3-6-4(7-9)14(5,10)11/h3H,1-2H3
InChIKey
PVKGQPUFIWJRTQ-UHFFFAOYSA-N
Compound name
1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

273.95972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.96700 154.7
[M+Na]+ 296.94894 165.9
[M-H]- 272.95244 157.2
[M+NH4]+ 291.99354 170.5
[M+K]+ 312.92288 162.8
[M+H-H2O]+ 256.95698 149.3
[M+HCOO]- 318.95792 162.2
[M+CH3COO]- 332.97357 192.0
[M+Na-2H]- 294.93439 158.0
[M]+ 273.95917 161.6
[M]- 273.96027 161.6
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