CID 10935083

Chloro-methyl-dioxo-[?]one

Structural Information

Molecular Formula
C10H10ClN3O3S
SMILES
CC1CN2C3=C(C=C(C=C3S(=O)(=O)N1)Cl)NC2=O
InChI
InChI=1S/C10H10ClN3O3S/c1-5-4-14-9-7(12-10(14)15)2-6(11)3-8(9)18(16,17)13-5/h2-3,5,13H,4H2,1H3,(H,12,15)
InChIKey
GDWVNWZLJXDNEM-UHFFFAOYSA-N
Compound name
6-chloro-11-methyl-9,9-dioxo-9lambda6-thia-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.01315 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.02043 158.3
[M+Na]+ 310.00237 171.8
[M-H]- 286.00587 159.6
[M+NH4]+ 305.04697 176.1
[M+K]+ 325.97631 169.0
[M+H-H2O]+ 270.01041 152.4
[M+HCOO]- 332.01135 166.3
[M+CH3COO]- 346.02700 169.9
[M+Na-2H]- 307.98782 162.1
[M]+ 287.01260 160.6
[M]- 287.01370 160.6
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.