CID 19365868

1956325-57-7

Structural Information

Molecular Formula
C7H8BrNS
SMILES
C1CNCC2=C1SC(=C2)Br
InChI
InChI=1S/C7H8BrNS/c8-7-3-5-4-9-2-1-6(5)10-7/h3,9H,1-2,4H2
InChIKey
DOZQOZIGEUPNHN-UHFFFAOYSA-N
Compound name
2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

216.95609 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96337 132.2
[M+Na]+ 239.94531 144.8
[M-H]- 215.94881 137.2
[M+NH4]+ 234.98991 156.3
[M+K]+ 255.91925 133.1
[M+H-H2O]+ 199.95335 133.9
[M+HCOO]- 261.95429 145.9
[M+CH3COO]- 275.96994 147.4
[M+Na-2H]- 237.93076 137.6
[M]+ 216.95554 148.8
[M]- 216.95664 148.8
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