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 152.1
[M+Na]+ 341.94717 155.6
[M-H]- 317.95067 149.7
[M+NH4]+ 336.99177 163.1
[M+K]+ 357.92111 154.1
[M+H-H2O]+ 301.95521 143.7
[M+HCOO]- 363.95615 168.9
[M+CH3COO]- 377.97180 183.4
[M+Na-2H]- 339.93262 148.3
[M]+ 318.95740 150.6
[M]- 318.95850 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.