CID 69052

603-72-5

Structural Information

Molecular Formula
C10H7NO2S
SMILES
C1=CC2=C3C(=C1)NS(=O)(=O)C3=CC=C2
InChI
InChI=1S/C10H7NO2S/c12-14(13)9-6-2-4-7-3-1-5-8(11-14)10(7)9/h1-6,11H
InChIKey
HOBYPSNNFBRLIX-UHFFFAOYSA-N
Compound name
2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

205.01974 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02702 138.7
[M+Na]+ 228.00896 150.9
[M-H]- 204.01246 142.0
[M+NH4]+ 223.05356 162.9
[M+K]+ 243.98290 146.1
[M+H-H2O]+ 188.01700 134.1
[M+HCOO]- 250.01794 155.2
[M+CH3COO]- 264.03359 152.8
[M+Na-2H]- 225.99441 146.2
[M]+ 205.01919 142.0
[M]- 205.02029 142.0
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

patents stripe