CID 20594208

4-bromothieno[2,3-c]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H4BrNO2S
SMILES
C1=C(SC2=CN=CC(=C21)Br)C(=O)O
InChI
InChI=1S/C8H4BrNO2S/c9-5-2-10-3-7-4(5)1-6(13-7)8(11)12/h1-3H,(H,11,12)
InChIKey
BGKJZKJDJZNFMI-UHFFFAOYSA-N
Compound name
4-bromothieno[2,3-c]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

256.9146 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.92188 136.8
[M+Na]+ 279.90382 152.1
[M-H]- 255.90732 143.1
[M+NH4]+ 274.94842 159.5
[M+K]+ 295.87776 140.4
[M+H-H2O]+ 239.91186 138.2
[M+HCOO]- 301.91280 153.7
[M+CH3COO]- 315.92845 153.1
[M+Na-2H]- 277.88927 143.0
[M]+ 256.91405 159.4
[M]- 256.91515 159.4
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