CID 16227350

924383-70-0

Structural Information

Molecular Formula
C15H9F3N2O3
SMILES
CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3C(F)(F)F)C(=O)O
InChI
InChI=1S/C15H9F3N2O3/c1-7-12-9(14(21)22)6-11(19-13(12)23-20-7)8-4-2-3-5-10(8)15(16,17)18/h2-6H,1H3,(H,21,22)
InChIKey
VLIGFVSYYSWUCV-UHFFFAOYSA-N
Compound name
3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.05652 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06380 168.5
[M+Na]+ 345.04574 180.7
[M-H]- 321.04924 170.7
[M+NH4]+ 340.09034 181.2
[M+K]+ 361.01968 176.4
[M+H-H2O]+ 305.05378 158.4
[M+HCOO]- 367.05472 184.3
[M+CH3COO]- 381.07037 204.1
[M+Na-2H]- 343.03119 172.5
[M]+ 322.05597 169.4
[M]- 322.05707 169.4
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

No patent data available for this compound.