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]+ 319.96523 152.3
[M+Na]+ 341.94717 160.0
[M+NH4]+ 336.99177 155.8
[M+K]+ 357.92111 160.4
[M-H]- 317.95067 150.3
[M+Na-2H]- 339.93262 146.9
[M]+ 318.95740 152.0
[M]- 318.95850 152.0
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.