CID 90203

23598-72-3

Structural Information

Molecular Formula
C11H8ClNO3
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)O
InChI
InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChIKey
UVEPOHNXGXVOJE-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

269
Patents

237.01927 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02655 147.5
[M+Na]+ 260.00849 161.8
[M+NH4]+ 255.05309 155.2
[M+K]+ 275.98243 158.0
[M-H]- 236.01199 150.9
[M+Na-2H]- 257.99394 154.1
[M]+ 237.01872 150.7
[M]- 237.01982 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe