CID 23563099

343322-73-6

Structural Information

Molecular Formula
C12H8F3NO3
SMILES
CC1=C(OC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C12H8F3NO3/c1-6-9(11(17)18)19-10(16-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18)
InChIKey
VCNUEDWVXGHVJL-UHFFFAOYSA-N
Compound name
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.04562 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05290 153.3
[M+Na]+ 294.03484 163.6
[M-H]- 270.03834 155.4
[M+NH4]+ 289.07944 168.4
[M+K]+ 310.00878 161.0
[M+H-H2O]+ 254.04288 144.6
[M+HCOO]- 316.04382 170.5
[M+CH3COO]- 330.05947 193.6
[M+Na-2H]- 292.02029 156.2
[M]+ 271.04507 152.0
[M]- 271.04617 152.0
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

patents stripe