CID 82276389

7-bromothieno[2,3-c]pyridine

Structural Information

Molecular Formula
C7H4BrNS
SMILES
C1=CN=C(C2=C1C=CS2)Br
InChI
InChI=1S/C7H4BrNS/c8-7-6-5(1-3-9-7)2-4-10-6/h1-4H
InChIKey
STVXAGCPRYSKAZ-UHFFFAOYSA-N
Compound name
7-bromothieno[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 126.0
[M+Na]+ 235.91399 142.1
[M-H]- 211.91749 133.6
[M+NH4]+ 230.95859 151.3
[M+K]+ 251.88793 130.8
[M+H-H2O]+ 195.92203 127.7
[M+HCOO]- 257.92297 145.3
[M+CH3COO]- 271.93862 143.7
[M+Na-2H]- 233.89944 134.7
[M]+ 212.92422 148.4
[M]- 212.92532 148.4
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