CID 298604

2-bromo-5-benzoylthiophene

Structural Information

Molecular Formula
C11H7BrOS
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(S2)Br
InChI
InChI=1S/C11H7BrOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7H
InChIKey
DHPVOIIUHSEYJY-UHFFFAOYSA-N
Compound name
(5-bromothiophen-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

265.9401 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.94738 144.8
[M+Na]+ 288.92932 157.8
[M-H]- 264.93282 155.1
[M+NH4]+ 283.97392 167.6
[M+K]+ 304.90326 146.2
[M+H-H2O]+ 248.93736 145.7
[M+HCOO]- 310.93830 163.4
[M+CH3COO]- 324.95395 160.9
[M+Na-2H]- 286.91477 148.8
[M]+ 265.93955 165.4
[M]- 265.94065 165.4
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.