CID 268907

2,5-dibromothiophene-3-carboxylic acid

Structural Information

Molecular Formula
C5H2Br2O2S
SMILES
C1=C(SC(=C1C(=O)O)Br)Br
InChI
InChI=1S/C5H2Br2O2S/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H,8,9)
InChIKey
PZBUYFPAASJYSI-UHFFFAOYSA-N
Compound name
2,5-dibromothiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

283.81424 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.82152 128.0
[M+Na]+ 306.80346 141.3
[M-H]- 282.80696 134.9
[M+NH4]+ 301.84806 149.4
[M+K]+ 322.77740 125.5
[M+H-H2O]+ 266.81150 137.0
[M+HCOO]- 328.81244 141.0
[M+CH3COO]- 342.82809 196.6
[M+Na-2H]- 304.78891 132.7
[M]+ 283.81369 163.3
[M]- 283.81479 163.3
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