CID 155819865

2470280-31-8

Structural Information

Molecular Formula
C9H8BrClOS
SMILES
C1[C@H]([C@@H]1C(=O)CCl)C2=CSC(=C2)Br
InChI
InChI=1S/C9H8BrClOS/c10-9-1-5(4-13-9)6-2-7(6)8(12)3-11/h1,4,6-7H,2-3H2/t6-,7+/m0/s1
InChIKey
JZMXJEKDYDOHFO-NKWVEPMBSA-N
Compound name
1-[(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropyl]-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.91678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.92406 136.3
[M+Na]+ 300.90600 141.0
[M+NH4]+ 295.95060 142.9
[M+K]+ 316.87994 141.8
[M-H]- 276.90950 143.6
[M+Na-2H]- 298.89145 142.1
[M]+ 277.91623 139.5
[M]- 277.91733 139.5
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.