CID 2763373

338982-12-0

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
C1=CC=C(C(=C1)C2=NOC(=C2)C(=O)O)Cl
InChI
InChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
InChIKey
VKVLLEXFHZRIFS-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

223.00362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01090 142.8
[M+Na]+ 245.99284 153.2
[M-H]- 221.99634 148.4
[M+NH4]+ 241.03744 160.4
[M+K]+ 261.96678 150.1
[M+H-H2O]+ 206.00088 136.9
[M+HCOO]- 268.00182 160.8
[M+CH3COO]- 282.01747 182.2
[M+Na-2H]- 243.97829 147.7
[M]+ 223.00307 146.3
[M]- 223.00417 146.3
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