CID 135408525

3,5-diiodo-4-hydroxybenzaldoxime

Structural Information

Molecular Formula
C7H5I2NO2
SMILES
C1=C(C=C(C(=C1I)O)I)/C=N/O
InChI
InChI=1S/C7H5I2NO2/c8-5-1-4(3-10-12)2-6(9)7(5)11/h1-3,11-12H/b10-3+
InChIKey
HKHJNPNVZZAURN-XCVCLJGOSA-N
Compound name
4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.84097 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.84825 152.6
[M+Na]+ 411.83019 147.0
[M-H]- 387.83369 143.9
[M+NH4]+ 406.87479 161.3
[M+K]+ 427.80413 156.4
[M+H-H2O]+ 371.83823 141.2
[M+HCOO]- 433.83917 165.2
[M+CH3COO]- 447.85482 202.5
[M+Na-2H]- 409.81564 140.0
[M]+ 388.84042 147.7
[M]- 388.84152 147.7
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.