CID 40012384

4-(5-bromothiophene-3-carbonyl)morpholine

Structural Information

Molecular Formula
C9H10BrNO2S
SMILES
C1COCCN1C(=O)C2=CSC(=C2)Br
InChI
InChI=1S/C9H10BrNO2S/c10-8-5-7(6-14-8)9(12)11-1-3-13-4-2-11/h5-6H,1-4H2
InChIKey
NCCVFSNSEYXPCR-UHFFFAOYSA-N
Compound name
(5-bromothiophen-3-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.96155 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96883 146.7
[M+Na]+ 297.95077 157.6
[M-H]- 273.95427 155.4
[M+NH4]+ 292.99537 166.6
[M+K]+ 313.92471 148.3
[M+H-H2O]+ 257.95881 147.3
[M+HCOO]- 319.95975 160.3
[M+CH3COO]- 333.97540 189.0
[M+Na-2H]- 295.93622 149.7
[M]+ 274.96100 164.9
[M]- 274.96210 164.9
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.