CID 17389805

1177333-57-1

Structural Information

Molecular Formula
C8H10BrNS
SMILES
C1CC(NC1)C2=CC(=CS2)Br
InChI
InChI=1S/C8H10BrNS/c9-6-4-8(11-5-6)7-2-1-3-10-7/h4-5,7,10H,1-3H2
InChIKey
GRUJACRKOZWRRB-UHFFFAOYSA-N
Compound name
2-(4-bromothiophen-2-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.97173 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97901 140.5
[M+Na]+ 253.96095 153.0
[M-H]- 229.96445 148.1
[M+NH4]+ 249.00555 164.7
[M+K]+ 269.93489 141.8
[M+H-H2O]+ 213.96899 141.6
[M+HCOO]- 275.96993 156.3
[M+CH3COO]- 289.98558 155.9
[M+Na-2H]- 251.94640 142.2
[M]+ 230.97118 157.0
[M]- 230.97228 157.0
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.