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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.968826	146.7
[M+Na]+	297.950768	157.6
[M-H]-	273.954274	155.4
[M+NH4]+	292.995373	166.6
[M+K]+	313.924708	148.3
[M+H-H2O]+	257.958810	147.3
[M+HCOO]-	319.959751	160.3
[M+CH3COO]-	333.975401	189.0
[M+Na-2H]-	295.936216	149.7
[M]+	274.96100142	164.9
[M]-	274.96209858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.