CID 12323208

5-(4-bromophenyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H7BrO2S
SMILES
C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)Br
InChI
InChI=1S/C11H7BrO2S/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey
VZLAAWUSRTYBGI-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.935 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.94228 147.9
[M+Na]+ 304.92422 160.9
[M-H]- 280.92772 157.0
[M+NH4]+ 299.96882 169.5
[M+K]+ 320.89816 148.7
[M+H-H2O]+ 264.93226 148.8
[M+HCOO]- 326.93320 165.1
[M+CH3COO]- 340.94885 190.4
[M+Na-2H]- 302.90967 150.9
[M]+ 281.93445 168.3
[M]- 281.93555 168.3
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.