CID 165458093

2353786-01-1

Structural Information

Molecular Formula
C10H6INO3
SMILES
C1=CC=C(C(=C1)C2=NOC(=C2)C(=O)O)I
InChI
InChI=1S/C10H6INO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
InChIKey
OQNIJFSSTWOMPO-UHFFFAOYSA-N
Compound name
3-(2-iodophenyl)-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.93924 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.94652 151.2
[M+Na]+ 337.92846 153.3
[M-H]- 313.93196 149.5
[M+NH4]+ 332.97306 163.6
[M+K]+ 353.90240 157.5
[M+H-H2O]+ 297.93650 140.9
[M+HCOO]- 359.93744 168.4
[M+CH3COO]- 373.95309 189.8
[M+Na-2H]- 335.91391 144.1
[M]+ 314.93869 150.0
[M]- 314.93979 150.0
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.