CID 59632164

1-(5-bromothiophen-2-yl)-2-fluoroethan-1-one

Structural Information

Molecular Formula
C6H4BrFOS
SMILES
C1=C(SC(=C1)Br)C(=O)CF
InChI
InChI=1S/C6H4BrFOS/c7-6-2-1-5(10-6)4(9)3-8/h1-2H,3H2
InChIKey
HCRZHZGIVUTQOS-UHFFFAOYSA-N
Compound name
1-(5-bromothiophen-2-yl)-2-fluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

221.91502 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.92230 131.8
[M+Na]+ 244.90424 145.5
[M-H]- 220.90774 137.9
[M+NH4]+ 239.94884 156.4
[M+K]+ 260.87818 134.5
[M+H-H2O]+ 204.91228 132.3
[M+HCOO]- 266.91322 149.2
[M+CH3COO]- 280.92887 182.7
[M+Na-2H]- 242.88969 135.3
[M]+ 221.91447 151.6
[M]- 221.91557 151.6
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

patents stripe