CID 212220

Brn 3059041

Structural Information

Molecular Formula
C10H10I2N2O2
SMILES
C=CCOC1=C(C=C(C=C1I)C(=O)NN)I
InChI
InChI=1S/C10H10I2N2O2/c1-2-3-16-9-7(11)4-6(5-8(9)12)10(15)14-13/h2,4-5H,1,3,13H2,(H,14,15)
InChIKey
IAVNHTOICKQPBJ-UHFFFAOYSA-N
Compound name
3,5-diiodo-4-prop-2-enoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.88318 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.89046 172.3
[M+Na]+ 466.87240 165.1
[M-H]- 442.87590 163.8
[M+NH4]+ 461.91700 179.0
[M+K]+ 482.84634 174.2
[M+H-H2O]+ 426.88044 159.7
[M+HCOO]- 488.88138 184.6
[M+CH3COO]- 502.89703 215.2
[M+Na-2H]- 464.85785 156.5
[M]+ 443.88263 167.0
[M]- 443.88373 167.0
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.