CID 129987285

180003-08-1

Structural Information

Molecular Formula
C7H10ClN3O4S2
SMILES
CC(C)(C)OC(=O)NC1=NN=C(S1)S(=O)(=O)Cl
InChI
InChI=1S/C7H10ClN3O4S2/c1-7(2,3)15-5(12)9-4-10-11-6(16-4)17(8,13)14/h1-3H3,(H,9,10,12)
InChIKey
UUQTXCLASAJYDU-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-chlorosulfonyl-1,3,4-thiadiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.98013 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.98741 163.7
[M+Na]+ 321.96935 173.0
[M-H]- 297.97285 165.6
[M+NH4]+ 317.01395 179.4
[M+K]+ 337.94329 169.2
[M+H-H2O]+ 281.97739 158.7
[M+HCOO]- 343.97833 169.9
[M+CH3COO]- 357.99398 194.2
[M+Na-2H]- 319.95480 165.7
[M]+ 298.97958 170.1
[M]- 298.98068 170.1
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.