CID 1488093

91182-87-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

237.01927 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.026546 147.3
[M+Na]+ 260.008488 158.2
[M-H]- 236.011994 153.1
[M+NH4]+ 255.053093 164.7
[M+K]+ 275.982428 154.8
[M+H-H2O]+ 220.016530 141.4
[M+HCOO]- 282.017471 164.9
[M+CH3COO]- 296.033121 186.4
[M+Na-2H]- 257.993936 151.0
[M]+ 237.01872142 151.6
[M]- 237.01981858 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