CID 135450453

Nsc687819

Structural Information

Molecular Formula
C10H9ClN4O4S
SMILES
C1C(=O)NC(=NNS(=O)(=O)C2=CC=C(C=C2)Cl)NC1=O
InChI
InChI=1S/C10H9ClN4O4S/c11-6-1-3-7(4-2-6)20(18,19)15-14-10-12-8(16)5-9(17)13-10/h1-4,15H,5H2,(H2,12,13,14,16,17)
InChIKey
MSVUIFJLFKHHEV-UHFFFAOYSA-N
Compound name
4-chloro-N-[(4,6-dioxo-1,3-diazinan-2-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0033 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.01058 165.4
[M+Na]+ 338.99252 173.0
[M-H]- 314.99602 168.2
[M+NH4]+ 334.03712 176.8
[M+K]+ 354.96646 166.6
[M+H-H2O]+ 299.00056 158.5
[M+HCOO]- 361.00150 175.1
[M+CH3COO]- 375.01715 199.7
[M+Na-2H]- 336.97797 169.3
[M]+ 316.00275 163.4
[M]- 316.00385 163.4
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.