CID 2757170

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

Structural Information

Molecular Formula
C11H7BrO2S
SMILES
C1=CC(=CC=C1C2=CSC(=C2)C(=O)O)Br
InChI
InChI=1S/C11H7BrO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)
InChIKey
PZHUPHYFDBYWCQ-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

281.935 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.942276 147.9
[M+Na]+ 304.924218 160.9
[M-H]- 280.927724 157.0
[M+NH4]+ 299.968823 169.5
[M+K]+ 320.898158 148.7
[M+H-H2O]+ 264.932260 148.8
[M+HCOO]- 326.933201 165.1
[M+CH3COO]- 340.948851 190.4
[M+Na-2H]- 302.909666 150.9
[M]+ 281.93445142 168.3
[M]- 281.93554858 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

literature stripe

Patent stripe

patents stripe