CID 123668054

1245224-63-8

Structural Information

Molecular Formula
C10H4Cl3NO3
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=C(C(=NO2)C(=O)O)Cl
InChI
InChI=1S/C10H4Cl3NO3/c11-4-1-2-5(6(12)3-4)9-7(13)8(10(15)16)14-17-9/h1-3H,(H,15,16)
InChIKey
GSKGFVFKTDHFOY-UHFFFAOYSA-N
Compound name
4-chloro-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.9257 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.93298 155.0
[M+Na]+ 313.91492 167.0
[M-H]- 289.91842 159.1
[M+NH4]+ 308.95952 170.7
[M+K]+ 329.88886 162.0
[M+H-H2O]+ 273.92296 150.3
[M+HCOO]- 335.92390 162.1
[M+CH3COO]- 349.93955 194.6
[M+Na-2H]- 311.90037 156.5
[M]+ 290.92515 160.2
[M]- 290.92625 160.2
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