CID 3011120

8-nitrosulfanyl-4,5-dihydrobenzo[e][1,2,3]benzothiadiazole

Structural Information

Molecular Formula
C10H7N3O2S2
SMILES
C1CC2=C(C3=C1C=CC(=C3)S[N+](=O)[O-])N=NS2
InChI
InChI=1S/C10H7N3O2S2/c14-13(15)17-7-3-1-6-2-4-9-10(8(6)5-7)11-12-16-9/h1,3,5H,2,4H2
InChIKey
YPJOVLJTOWMMOD-UHFFFAOYSA-N
Compound name
8-nitrosulfanyl-4,5-dihydrobenzo[e][1,2,3]benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.99796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.00524 148.3
[M+Na]+ 287.98718 157.3
[M-H]- 263.99068 151.2
[M+NH4]+ 283.03178 166.0
[M+K]+ 303.96112 148.6
[M+H-H2O]+ 247.99522 146.8
[M+HCOO]- 309.99616 159.7
[M+CH3COO]- 324.01181 187.5
[M+Na-2H]- 285.97263 154.9
[M]+ 264.99741 148.7
[M]- 264.99851 148.7
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.