CID 57440549

4-bromothieno[3,2-c]pyridine

Structural Information

Molecular Formula
C7H4BrNS
SMILES
C1=CN=C(C2=C1SC=C2)Br
InChI
InChI=1S/C7H4BrNS/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKey
KFLHTKWGSANOOL-UHFFFAOYSA-N
Compound name
4-bromothieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

212.92477 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.93205 125.3
[M+Na]+ 235.91399 130.5
[M+NH4]+ 230.95859 132.4
[M+K]+ 251.88793 129.5
[M-H]- 211.91749 127.0
[M+Na-2H]- 233.89944 130.5
[M]+ 212.92422 125.9
[M]- 212.92532 125.9
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

patents stripe