CID 75532027

6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

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 156.9
[M+Na]+ 330.93005 172.1
[M-H]- 306.93355 158.1
[M+NH4]+ 325.97465 175.6
[M+K]+ 346.90399 159.9
[M+H-H2O]+ 290.93809 154.8
[M+HCOO]- 352.93903 172.2
[M+CH3COO]- 366.95468 196.2
[M+Na-2H]- 328.91550 162.6
[M]+ 307.94028 174.3
[M]- 307.94138 174.3
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.