CID 45142327

2-iodo-4-phenyl-1,3-oxazole

Structural Information

Molecular Formula
C9H6INO
SMILES
C1=CC=C(C=C1)C2=COC(=N2)I
InChI
InChI=1S/C9H6INO/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKey
QMZJDMNRLIZTAI-UHFFFAOYSA-N
Compound name
2-iodo-4-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

270.9494 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.95668 138.1
[M+Na]+ 293.93862 140.5
[M-H]- 269.94212 137.2
[M+NH4]+ 288.98322 152.9
[M+K]+ 309.91256 144.8
[M+H-H2O]+ 253.94666 127.8
[M+HCOO]- 315.94760 157.5
[M+CH3COO]- 329.96325 148.4
[M+Na-2H]- 291.92407 134.0
[M]+ 270.94885 136.5
[M]- 270.94995 136.5
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.