CID 15353984

4-iodo-3-methylsydnone

Structural Information

Molecular Formula
C3H4IN2O2
SMILES
C[N+]1=C(C(=O)ON1)I
InChI
InChI=1S/C3H3IN2O2/c1-6-2(4)3(7)8-5-6/h1H3/p+1
InChIKey
HDWFGDXPSPVGOM-UHFFFAOYSA-O
Compound name
4-iodo-3-methyl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.93175 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.93903 125.9
[M+Na]+ 249.92097 130.0
[M-H]- 225.92447 120.8
[M+NH4]+ 244.96557 140.8
[M+K]+ 265.89491 130.3
[M+H-H2O]+ 209.92901 119.4
[M+HCOO]- 271.92995 143.2
[M+CH3COO]- 285.94560 167.4
[M+Na-2H]- 247.90642 123.7
[M]+ 226.93120 123.2
[M]- 226.93230 123.2
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.