CID 5272711

2-(2-bromo-3-thienyl)indolizine

Structural Information

Molecular Formula
C12H8BrNS
SMILES
C1=CC2=CC(=CN2C=C1)C3=C(SC=C3)Br
InChI
InChI=1S/C12H8BrNS/c13-12-11(4-6-15-12)9-7-10-3-1-2-5-14(10)8-9/h1-8H
InChIKey
UVJFNISKQGRSGR-UHFFFAOYSA-N
Compound name
2-(2-bromothiophen-3-yl)indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.9561 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.96338 148.3
[M+Na]+ 299.94532 164.7
[M-H]- 275.94882 159.3
[M+NH4]+ 294.98992 173.0
[M+K]+ 315.91926 152.9
[M+H-H2O]+ 259.95336 149.9
[M+HCOO]- 321.95430 168.5
[M+CH3COO]- 335.96995 165.4
[M+Na-2H]- 297.93077 153.2
[M]+ 276.95555 171.3
[M]- 276.95665 171.3
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

No patent data available for this compound.