CID 292738

4-bromomethanesulfonylmorpholine

Structural Information

Molecular Formula

C₅H₁₀BrNO₃S

SMILES

C1COCCN1S(=O)(=O)CBr

InChI

InChI=1S/C5H10BrNO3S/c6-5-11(8,9)7-1-3-10-4-2-7/h1-5H2

InChIKey

PUAIXHZIMYTCKF-UHFFFAOYSA-N

Compound name

4-(bromomethylsulfonyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 242.95648 Da
Monoisotopic Mass: 0.0
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]+	243.96376	133.6
[M+Na]+	265.94570	144.2
[M-H]-	241.94920	139.0
[M+NH4]+	260.99030	152.7
[M+K]+	281.91964	135.2
[M+H-H2O]+	225.95374	134.2
[M+HCOO]-	287.95468	145.8
[M+CH3COO]-	301.97033	182.2
[M+Na-2H]-	263.93115	141.2
[M]+	242.95593	152.2
[M]-	242.95703	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe