CID 385065

Nsc675992

Structural Information

Molecular Formula
C12H10IO2
SMILES
C1=CC=C(C=C1)[I+]C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C12H9IO2/c14-11-7-6-10(8-12(11)15)13-9-4-2-1-3-5-9/h1-8H,(H-,14,15)/p+1
InChIKey
ZGOILIZECGXONK-UHFFFAOYSA-O
Compound name
(3,4-dihydroxyphenyl)-phenyliodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.97256 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.97984 158.8
[M+Na]+ 335.96178 159.5
[M-H]- 311.96528 156.2
[M+NH4]+ 331.00638 171.1
[M+K]+ 351.93572 155.8
[M+H-H2O]+ 295.96982 151.1
[M+HCOO]- 357.97076 175.3
[M+CH3COO]- 371.98641 182.3
[M+Na-2H]- 333.94723 154.5
[M]+ 312.97201 153.3
[M]- 312.97311 153.3
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.