CID 212261

Brn 3061867

Structural Information

Molecular Formula
C11H14I2N2O2
SMILES
CC(C)COC1=C(C=C(C=C1I)C(=O)NN)I
InChI
InChI=1S/C11H14I2N2O2/c1-6(2)5-17-10-8(12)3-7(4-9(10)13)11(16)15-14/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKey
CYQSOCXUMCBCOC-UHFFFAOYSA-N
Compound name
3,5-diiodo-4-(2-methylpropoxy)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.91446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.92174 178.0
[M+Na]+ 482.90368 170.1
[M-H]- 458.90718 169.5
[M+NH4]+ 477.94828 184.3
[M+K]+ 498.87762 179.9
[M+H-H2O]+ 442.91172 165.3
[M+HCOO]- 504.91266 189.2
[M+CH3COO]- 518.92831 218.9
[M+Na-2H]- 480.88913 160.8
[M]+ 459.91391 173.1
[M]- 459.91501 173.1
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.