CID 21666553

2-(4-chlorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H8ClNO3
SMILES
CC1=C(OC(=N1)C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)16-10(13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChIKey
CMEXNIMRZGXSFY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

237.01927 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe