CID 113427938

4-(3,5-dichloro-4-hydroxyphenyl)thiomorpholine-3,5-dione

Structural Information

Molecular Formula
C10H7Cl2NO3S
SMILES
C1C(=O)N(C(=O)CS1)C2=CC(=C(C(=C2)Cl)O)Cl
InChI
InChI=1S/C10H7Cl2NO3S/c11-6-1-5(2-7(12)10(6)16)13-8(14)3-17-4-9(13)15/h1-2,16H,3-4H2
InChIKey
LCVWMHIHJUZAHE-UHFFFAOYSA-N
Compound name
4-(3,5-dichloro-4-hydroxyphenyl)thiomorpholine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.95236 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.95964 154.6
[M+Na]+ 313.94158 165.0
[M-H]- 289.94508 158.9
[M+NH4]+ 308.98618 170.5
[M+K]+ 329.91552 158.9
[M+H-H2O]+ 273.94962 150.1
[M+HCOO]- 335.95056 159.5
[M+CH3COO]- 349.96621 193.7
[M+Na-2H]- 311.92703 154.2
[M]+ 290.95181 156.8
[M]- 290.95291 156.8
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.