CID 212221

23964-40-1

Structural Information

Molecular Formula
C10H12I2N2O2
SMILES
CCCOC1=C(C=C(C=C1I)C(=O)NN)I
InChI
InChI=1S/C10H12I2N2O2/c1-2-3-16-9-7(11)4-6(5-8(9)12)10(15)14-13/h4-5H,2-3,13H2,1H3,(H,14,15)
InChIKey
BLVQCQRDSUWDOU-UHFFFAOYSA-N
Compound name
3,5-diiodo-4-propoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.89883 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.90611 174.3
[M+Na]+ 468.88805 166.9
[M-H]- 444.89155 165.9
[M+NH4]+ 463.93265 181.1
[M+K]+ 484.86199 176.5
[M+H-H2O]+ 428.89609 161.6
[M+HCOO]- 490.89703 186.5
[M+CH3COO]- 504.91268 215.9
[M+Na-2H]- 466.87350 158.5
[M]+ 445.89828 169.6
[M]- 445.89938 169.6
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.