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

37
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 147.3
[M+Na]+ 260.00849 158.2
[M-H]- 236.01199 153.1
[M+NH4]+ 255.05309 164.7
[M+K]+ 275.98243 154.8
[M+H-H2O]+ 220.01653 141.4
[M+HCOO]- 282.01747 164.9
[M+CH3COO]- 296.03312 186.4
[M+Na-2H]- 257.99394 151.0
[M]+ 237.01872 151.6
[M]- 237.01982 151.6
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