CID 12065953

504413-35-8

Structural Information

Molecular Formula
C9H5BrF3N3O
SMILES
C1=CC2=NC(=CN2C=C1Br)NC(=O)C(F)(F)F
InChI
InChI=1S/C9H5BrF3N3O/c10-5-1-2-7-14-6(4-16(7)3-5)15-8(17)9(11,12)13/h1-4H,(H,15,17)
InChIKey
BUYPVRDWQVLXDL-UHFFFAOYSA-N
Compound name
N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

306.95682 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.96410 157.2
[M+Na]+ 329.94604 171.3
[M-H]- 305.94954 159.2
[M+NH4]+ 324.99064 176.0
[M+K]+ 345.91998 159.0
[M+H-H2O]+ 289.95408 154.0
[M+HCOO]- 351.95502 174.6
[M+CH3COO]- 365.97067 199.5
[M+Na-2H]- 327.93149 164.3
[M]+ 306.95627 173.8
[M]- 306.95737 173.8
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