CID 131560189

4-(4-bromothiophen-2-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C8H8BrNOS
SMILES
C1C(CNC1=O)C2=CC(=CS2)Br
InChI
InChI=1S/C8H8BrNOS/c9-6-2-7(12-4-6)5-1-8(11)10-3-5/h2,4-5H,1,3H2,(H,10,11)
InChIKey
USWZSKJTLCGTRW-UHFFFAOYSA-N
Compound name
4-(4-bromothiophen-2-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.951 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95828 142.4
[M+Na]+ 267.94022 155.7
[M-H]- 243.94372 150.3
[M+NH4]+ 262.98482 166.1
[M+K]+ 283.91416 144.2
[M+H-H2O]+ 227.94826 143.7
[M+HCOO]- 289.94920 158.5
[M+CH3COO]- 303.96485 157.9
[M+Na-2H]- 265.92567 143.5
[M]+ 244.95045 159.8
[M]- 244.95155 159.8
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.