CID 77570

2-iodo-1,4-benzoquinone

Structural Information

Molecular Formula
C6H3IO2
SMILES
C1=CC(=O)C(=CC1=O)I
InChI
InChI=1S/C6H3IO2/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKey
FFJVYLVTPMHYQP-UHFFFAOYSA-N
Compound name
2-iodocyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

70
Patents

233.91779 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.92507 127.0
[M+Na]+ 256.90701 129.6
[M-H]- 232.91051 124.3
[M+NH4]+ 251.95161 144.4
[M+K]+ 272.88095 134.1
[M+H-H2O]+ 216.91505 118.7
[M+HCOO]- 278.91599 146.6
[M+CH3COO]- 292.93164 179.1
[M+Na-2H]- 254.89246 122.1
[M]+ 233.91724 124.2
[M]- 233.91834 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe