CID 2764496

2-acetyl-3-bromothiophene

Structural Information

Molecular Formula
C6H5BrOS
SMILES
CC(=O)C1=C(C=CS1)Br
InChI
InChI=1S/C6H5BrOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,1H3
InChIKey
ZUXPELAHJQSZTE-UHFFFAOYSA-N
Compound name
1-(3-bromothiophen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

128
Patents

203.92445 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.93173 126.7
[M+Na]+ 226.91367 129.0
[M+NH4]+ 221.95827 132.5
[M+K]+ 242.88761 129.6
[M-H]- 202.91717 127.0
[M+Na-2H]- 224.89912 129.5
[M]+ 203.92390 126.2
[M]- 203.92500 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe