CID 119031035

7-bromoimidazo[1,2-a]pyridin-2-yl trifluoromethanesulfonate

Structural Information

Molecular Formula
C8H4BrF3N2O3S
SMILES
C1=CN2C=C(N=C2C=C1Br)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C8H4BrF3N2O3S/c9-5-1-2-14-4-7(13-6(14)3-5)17-18(15,16)8(10,11)12/h1-4H
InChIKey
YVIDSFYHIKKBEM-UHFFFAOYSA-N
Compound name
(7-bromoimidazo[1,2-a]pyridin-2-yl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.9078 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.91508 156.1
[M+Na]+ 366.89702 172.5
[M-H]- 342.90052 158.8
[M+NH4]+ 361.94162 174.7
[M+K]+ 382.87096 160.7
[M+H-H2O]+ 326.90506 154.7
[M+HCOO]- 388.90600 168.5
[M+CH3COO]- 402.92165 199.0
[M+Na-2H]- 364.88247 163.5
[M]+ 343.90725 177.6
[M]- 343.90835 177.6
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.