CID 212219

Benzoic acid, 3,5-diiodo-4-ethoxy-, hydrazide

Structural Information

Molecular Formula
C9H10I2N2O2
SMILES
CCOC1=C(C=C(C=C1I)C(=O)NN)I
InChI
InChI=1S/C9H10I2N2O2/c1-2-15-8-6(10)3-5(4-7(8)11)9(14)13-12/h3-4H,2,12H2,1H3,(H,13,14)
InChIKey
NCKSIHZXONNRPT-UHFFFAOYSA-N
Compound name
4-ethoxy-3,5-diiodobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.88318 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.89046 169.7
[M+Na]+ 454.87240 162.7
[M-H]- 430.87590 161.4
[M+NH4]+ 449.91700 176.9
[M+K]+ 470.84634 172.5
[M+H-H2O]+ 414.88044 157.2
[M+HCOO]- 476.88138 182.2
[M+CH3COO]- 490.89703 213.5
[M+Na-2H]- 452.85785 154.4
[M]+ 431.88263 164.7
[M]- 431.88373 164.7
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.