CID 15353992

201282-63-5

Structural Information

Molecular Formula
C9H8IN2O3
SMILES
COC1=CC=C(C=C1)[N+]2=C(C(=O)ON2)I
InChI
InChI=1S/C9H7IN2O3/c1-14-7-4-2-6(3-5-7)12-8(10)9(13)15-11-12/h2-5H,1H3/p+1
InChIKey
RJWUVFKPJIVNHN-UHFFFAOYSA-O
Compound name
4-iodo-3-(4-methoxyphenyl)-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.95795 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.965226 152.1
[M+Na]+ 341.947168 155.6
[M-H]- 317.950674 149.7
[M+NH4]+ 336.991773 163.1
[M+K]+ 357.921108 154.1
[M+H-H2O]+ 301.955210 143.7
[M+HCOO]- 363.956151 168.9
[M+CH3COO]- 377.971801 183.4
[M+Na-2H]- 339.932616 148.3
[M]+ 318.95740142 150.6
[M]- 318.95849858 150.6
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.