CID 12032371

19932-87-7

Structural Information

Molecular Formula
C7H4INO2
SMILES
C1=CC2=C(C=C1I)OC(=O)N2
InChI
InChI=1S/C7H4INO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey
ISXIMZPIWYVLBD-UHFFFAOYSA-N
Compound name
6-iodo-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

260.92868 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.93596 131.0
[M+Na]+ 283.91790 136.0
[M-H]- 259.92140 127.7
[M+NH4]+ 278.96250 147.2
[M+K]+ 299.89184 139.6
[M+H-H2O]+ 243.92594 122.2
[M+HCOO]- 305.92688 149.9
[M+CH3COO]- 319.94253 142.1
[M+Na-2H]- 281.90335 128.5
[M]+ 260.92813 130.8
[M]- 260.92923 130.8
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

patents stripe