CID 25524462

4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]morpholine

Structural Information

Molecular Formula
C7H9ClN2O3S2
SMILES
C1COCCN1S(=O)(=O)C2=CN=C(S2)Cl
InChI
InChI=1S/C7H9ClN2O3S2/c8-7-9-5-6(14-7)15(11,12)10-1-3-13-4-2-10/h5H,1-4H2
InChIKey
OIQRCTCSXGNYAO-UHFFFAOYSA-N
Compound name
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.9743 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.981576 153.4
[M+Na]+ 290.963518 162.8
[M-H]- 266.967024 158.4
[M+NH4]+ 286.008123 169.2
[M+K]+ 306.937458 159.7
[M+H-H2O]+ 250.971560 148.3
[M+HCOO]- 312.972501 158.0
[M+CH3COO]- 326.988151 185.9
[M+Na-2H]- 288.948966 154.5
[M]+ 267.97375142 155.7
[M]- 267.97484858 155.7
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.