CID 75532027

1427460-57-8

Structural Information

Molecular Formula
C9H4BrF3N2O2
SMILES
C1=CC2=NC(=C(N2C=C1Br)C(=O)O)C(F)(F)F
InChI
InChI=1S/C9H4BrF3N2O2/c10-4-1-2-5-14-7(9(11,12)13)6(8(16)17)15(5)3-4/h1-3H,(H,16,17)
InChIKey
INTMPAQBPBWBSN-UHFFFAOYSA-N
Compound name
6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.94083 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.94811 165.9
[M+Na]+ 330.93005 166.8
[M+NH4]+ 325.97465 167.2
[M+K]+ 346.90399 169.2
[M-H]- 306.93355 160.3
[M+Na-2H]- 328.91550 165.1
[M]+ 307.94028 163.0
[M]- 307.94138 163.0
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.