CID 13922316

7585-63-9

Structural Information

Molecular Formula
C9H11NO2S
SMILES
C1CS(=O)(=O)C2=CC=CC=C2C1N
InChI
InChI=1S/C9H11NO2S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2
InChIKey
AGQPICIMOSZNKU-UHFFFAOYSA-N
Compound name
1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

197.05106 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.058336 136.2
[M+Na]+ 220.040278 145.4
[M-H]- 196.043784 140.5
[M+NH4]+ 215.084883 158.7
[M+K]+ 236.014218 141.9
[M+H-H2O]+ 180.048320 131.3
[M+HCOO]- 242.049261 153.6
[M+CH3COO]- 256.064911 181.8
[M+Na-2H]- 218.025726 142.3
[M]+ 197.05051142 135.3
[M]- 197.05160858 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