CID 145867506

2-(4-bromothiophen-3-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C8H7BrOS
SMILES
C1CC(=O)C1C2=CSC=C2Br
InChI
InChI=1S/C8H7BrOS/c9-7-4-11-3-6(7)5-1-2-8(5)10/h3-5H,1-2H2
InChIKey
DTOGMNKCJQJXPA-UHFFFAOYSA-N
Compound name
2-(4-bromothiophen-3-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.9401 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.94738 122.7
[M+Na]+ 252.92932 134.4
[M-H]- 228.93282 132.7
[M+NH4]+ 247.97392 141.0
[M+K]+ 268.90326 126.5
[M+H-H2O]+ 212.93736 119.2
[M+HCOO]- 274.93830 140.1
[M+CH3COO]- 288.95395 187.4
[M+Na-2H]- 250.91477 126.9
[M]+ 229.93955 150.1
[M]- 229.94065 150.1
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.