CID 213751

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

Structural Information

Molecular Formula
C11H14I2N2O2
SMILES
CCCCOC1=C(C=C(C=C1I)C(=O)NN)I
InChI
InChI=1S/C11H14I2N2O2/c1-2-3-4-17-10-8(12)5-7(6-9(10)13)11(16)15-14/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKey
DCYXZHYPSGTRTB-UHFFFAOYSA-N
Compound name
4-butoxy-3,5-diiodobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.91446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.92174 178.9
[M+Na]+ 482.90368 171.1
[M-H]- 458.90718 170.3
[M+NH4]+ 477.94828 185.2
[M+K]+ 498.87762 180.5
[M+H-H2O]+ 442.91172 166.0
[M+HCOO]- 504.91266 190.7
[M+CH3COO]- 518.92831 218.2
[M+Na-2H]- 480.88913 162.5
[M]+ 459.91391 174.4
[M]- 459.91501 174.4
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.