CID 44118275

4-amino-3,4-dihydro-1h-2lambda6-benzothiopyran-2,2-dione hydrochloride

Structural Information

Molecular Formula
C9H11NO2S
SMILES
C1C(C2=CC=CC=C2CS1(=O)=O)N
InChI
InChI=1S/C9H11NO2S/c10-9-6-13(11,12)5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2
InChIKey
NQQQZIIUCBAOSL-UHFFFAOYSA-N
Compound name
2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

197.05106 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 136.2
[M+Na]+ 220.04028 145.4
[M-H]- 196.04378 140.5
[M+NH4]+ 215.08488 158.7
[M+K]+ 236.01422 141.9
[M+H-H2O]+ 180.04832 131.3
[M+HCOO]- 242.04926 153.6
[M+CH3COO]- 256.06491 181.8
[M+Na-2H]- 218.02573 142.3
[M]+ 197.05051 135.3
[M]- 197.05161 135.3
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