CID 121408

1218-93-5

Structural Information

Molecular Formula
C10H12ClNO4S2
SMILES
CC1CCC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl
InChI
InChI=1S/C10H12ClNO4S2/c1-6-2-3-7-4-8(11)10(18(12,15)16)5-9(7)17(6,13)14/h4-6H,2-3H2,1H3,(H2,12,15,16)
InChIKey
BOLNHTWXOJURFW-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.98962 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.99690 158.1
[M+Na]+ 331.97884 168.4
[M-H]- 307.98234 162.1
[M+NH4]+ 327.02344 177.0
[M+K]+ 347.95278 162.5
[M+H-H2O]+ 291.98688 155.1
[M+HCOO]- 353.98782 164.0
[M+CH3COO]- 368.00347 198.9
[M+Na-2H]- 329.96429 162.7
[M]+ 308.98907 162.1
[M]- 308.99017 162.1
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

No patent data available for this compound.