CID 135408525

Benzaldehyde, 3,5-diiodo-4-hydroxy-, oxime

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

4
Patents

388.84097 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.848246 152.6
[M+Na]+ 411.830188 147.0
[M-H]- 387.833694 143.9
[M+NH4]+ 406.874793 161.3
[M+K]+ 427.804128 156.4
[M+H-H2O]+ 371.838230 141.2
[M+HCOO]- 433.839171 165.2
[M+CH3COO]- 447.854821 202.5
[M+Na-2H]- 409.815636 140.0
[M]+ 388.84042142 147.7
[M]- 388.84151858 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

patents stripe