CID 132327185

2138286-72-1

Structural Information

Molecular Formula
C11H7Cl2NO3S
SMILES
C1=CS(=O)(=O)C2=C(NOC21)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C11H7Cl2NO3S/c12-7-2-1-6(5-8(7)13)10-11-9(17-14-10)3-4-18(11,15)16/h1-5,9,14H
InChIKey
CODVXHCCHMHLMC-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.95236 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.95964 160.9
[M+Na]+ 325.94158 174.9
[M-H]- 301.94508 168.0
[M+NH4]+ 320.98618 181.8
[M+K]+ 341.91552 169.4
[M+H-H2O]+ 285.94962 158.2
[M+HCOO]- 347.95056 169.0
[M+CH3COO]- 361.96621 174.4
[M+Na-2H]- 323.92703 162.1
[M]+ 302.95181 167.5
[M]- 302.95291 167.5
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.