CID 102725065

1587625-30-6

Structural Information

Molecular Formula
C11H9ClFNO3
SMILES
CC1(CC(=NO1)C2=C(C(=CC=C2)Cl)F)C(=O)O
InChI
InChI=1S/C11H9ClFNO3/c1-11(10(15)16)5-8(14-17-11)6-3-2-4-7(12)9(6)13/h2-4H,5H2,1H3,(H,15,16)
InChIKey
VOFBKPLGCKRATB-UHFFFAOYSA-N
Compound name
3-(3-chloro-2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

257.0255 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03278 151.3
[M+Na]+ 280.01472 163.7
[M+NH4]+ 275.05932 159.5
[M+K]+ 295.98866 158.6
[M-H]- 256.01822 152.9
[M+Na-2H]- 278.00017 157.8
[M]+ 257.02495 153.8
[M]- 257.02605 153.8
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