CID 79399505

4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine

Structural Information

Molecular Formula
C7H9BrN2S2
SMILES
C1CSCCN1C2=NC(=CS2)Br
InChI
InChI=1S/C7H9BrN2S2/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKey
HMXVXAZFEQFMAJ-UHFFFAOYSA-N
Compound name
4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.93906 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.94634 131.4
[M+Na]+ 286.92828 144.5
[M-H]- 262.93178 138.5
[M+NH4]+ 281.97288 152.4
[M+K]+ 302.90222 132.8
[M+H-H2O]+ 246.93632 132.5
[M+HCOO]- 308.93726 140.9
[M+CH3COO]- 322.95291 146.4
[M+Na-2H]- 284.91373 134.4
[M]+ 263.93851 148.7
[M]- 263.93961 148.7
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

patents stripe