CID 1541687

4-((5-bromothiophen-2-yl)sulfonyl)morpholine

Structural Information

Molecular Formula
C8H10BrNO3S2
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(S2)Br
InChI
InChI=1S/C8H10BrNO3S2/c9-7-1-2-8(14-7)15(11,12)10-3-5-13-6-4-10/h1-2H,3-6H2
InChIKey
FRGPFXYBUBHMKV-UHFFFAOYSA-N
Compound name
4-(5-bromothiophen-2-yl)sulfonylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

310.92856 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.93584 145.2
[M+Na]+ 333.91778 157.7
[M-H]- 309.92128 153.9
[M+NH4]+ 328.96238 164.1
[M+K]+ 349.89172 147.2
[M+H-H2O]+ 293.92582 146.8
[M+HCOO]- 355.92676 154.3
[M+CH3COO]- 369.94241 192.1
[M+Na-2H]- 331.90323 149.6
[M]+ 310.92801 164.7
[M]- 310.92911 164.7
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