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]+ 271.956676 138.1
[M+Na]+ 293.938618 140.5
[M-H]- 269.942124 137.2
[M+NH4]+ 288.983223 152.9
[M+K]+ 309.912558 144.8
[M+H-H2O]+ 253.946660 127.8
[M+HCOO]- 315.947601 157.5
[M+CH3COO]- 329.963251 148.4
[M+Na-2H]- 291.924066 134.0
[M]+ 270.94885142 136.5
[M]- 270.94994858 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

literature stripe

Patent stripe

patents stripe