CID 84680133

6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C9H5F3N2O
SMILES
C1=CC2=NC=C(N2C=C1C(F)(F)F)C=O
InChI
InChI=1S/C9H5F3N2O/c10-9(11,12)6-1-2-8-13-3-7(5-15)14(8)4-6/h1-5H
InChIKey
CSFLLEUGBJCWKW-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.0354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04268 138.9
[M+Na]+ 237.02462 151.5
[M-H]- 213.02812 138.0
[M+NH4]+ 232.06922 158.2
[M+K]+ 252.99856 147.5
[M+H-H2O]+ 197.03266 129.9
[M+HCOO]- 259.03360 158.5
[M+CH3COO]- 273.04925 185.2
[M+Na-2H]- 235.01007 146.1
[M]+ 214.03485 138.4
[M]- 214.03595 138.4
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