CID 127020668

1934595-97-7

Structural Information

Molecular Formula
C8H6ClN3O3
SMILES
CN1C(=C(C=N1)Cl)C2=NOC(=C2)C(=O)O
InChI
InChI=1S/C8H6ClN3O3/c1-12-7(4(9)3-10-12)5-2-6(8(13)14)15-11-5/h2-3H,1H3,(H,13,14)
InChIKey
ULZIQSUGGYNURA-UHFFFAOYSA-N
Compound name
3-(4-chloro-2-methylpyrazol-3-yl)-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.00977 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01705 142.6
[M+Na]+ 249.99899 155.2
[M-H]- 226.00249 146.4
[M+NH4]+ 245.04359 159.4
[M+K]+ 265.97293 152.6
[M+H-H2O]+ 210.00703 135.6
[M+HCOO]- 272.00797 160.5
[M+CH3COO]- 286.02362 183.2
[M+Na-2H]- 247.98444 145.7
[M]+ 227.00922 148.6
[M]- 227.01032 148.6
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

No patent data available for this compound.