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]+ 268.98158 153.4
[M+Na]+ 290.96352 162.8
[M-H]- 266.96702 158.4
[M+NH4]+ 286.00812 169.2
[M+K]+ 306.93746 159.7
[M+H-H2O]+ 250.97156 148.3
[M+HCOO]- 312.97250 158.0
[M+CH3COO]- 326.98815 185.9
[M+Na-2H]- 288.94897 154.5
[M]+ 267.97375 155.7
[M]- 267.97485 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.